dwb2023/family-target-interaction-ligand-gtopdb

family_id int64 1 1.1k	family_type stringclasses 9 values	family_name stringclasses 590 values	target_id int64 1 3.29k	target_name stringlengths 3 122	interaction_id int64 1 90.9k	interaction_type stringclasses 10 values	interaction_action stringclasses 24 values	primary_target bool 2 classes	affinity_median float64 0.3 13 ⌀	affinity_units stringclasses 7 values	ligand_id int64 1 13.4k	ligand_name stringlengths 2 141	ligand_type stringclasses 6 values	ligand_approved bool 2 classes	ligand_approval_source stringclasses 439 values	pubchem_sid float64 53.8M 491M ⌀
760	catalytic_receptor	Integrins	2,578	integrin α2β1	87,944	Inhibitor	Inhibition	false	null	-	11,489	BTT-3033	Synthetic organic	false	null	440,816,857
760	catalytic_receptor	Integrins	2,578	integrin α2β1	78,537	Inhibitor	Inhibition	null	7.9	pIC50	6,582	TCI15	Synthetic organic	false	null	178,103,196
760	catalytic_receptor	Integrins	2,580	integrin α4β1	78,544	Inhibitor	Inhibition	null	null	pIC50	6,589	BIO1211	Peptide	false	null	178,103,202
760	catalytic_receptor	Integrins	2,580	integrin α4β1	88,728	Antagonist	Antagonist	false	11.3	pKd	12,045	BOP	Peptide	false	null	472,319,168
760	catalytic_receptor	Integrins	2,580	integrin α4β1	86,812	Inhibitor	Inhibition	false	7.24	pIC50	10,511	carotegrast	Synthetic organic	false	null	387,065,593
760	catalytic_receptor	Integrins	2,580	integrin α4β1	87,938	Inhibitor	Inhibition	false	null	-	11,486	firategrast	Synthetic organic	false	null	440,816,854
760	catalytic_receptor	Integrins	2,580	integrin α4β1	78,546	Antibody	Inhibition	false	null	-	6,591	natalizumab	Antibody	true	FDA (2004), EMA (2006)	178,103,204
760	catalytic_receptor	Integrins	2,580	integrin α4β1	78,545	Inhibitor	Inhibition	null	null	-	6,590	TCS2314	Synthetic organic	false	null	178,103,203
760	catalytic_receptor	Integrins	2,580	integrin α4β1	87,939	Inhibitor	Inhibition	false	null	-	11,487	valategrast	Synthetic organic	false	null	440,816,855
760	catalytic_receptor	Integrins	2,580	integrin α4β1	87,940	Inhibitor	Inhibition	false	null	-	11,488	zaurategrast	Synthetic organic	false	null	440,816,856
760	catalytic_receptor	Integrins	2,770	integrin α4β7	86,813	Inhibitor	Inhibition	false	8.48	pIC50	10,511	carotegrast	Synthetic organic	false	null	387,065,593
760	catalytic_receptor	Integrins	2,770	integrin α4β7	82,116	Inhibitor	Binding	true	10.12	pIC50	8,407	etrolizumab	Antibody	false	null	252,166,617
760	catalytic_receptor	Integrins	2,770	integrin α4β7	87,941	Inhibitor	Inhibition	false	null	-	11,486	firategrast	Synthetic organic	false	null	440,816,854
760	catalytic_receptor	Integrins	2,770	integrin α4β7	87,942	Inhibitor	Inhibition	false	null	-	11,487	valategrast	Synthetic organic	false	null	440,816,855
760	catalytic_receptor	Integrins	2,770	integrin α4β7	79,738	Antibody	Antagonist	true	8.27	pIC50	7,437	vedolizumab	Antibody	true	FDA and EMA (2014)	178,104,009
760	catalytic_receptor	Integrins	2,770	integrin α4β7	87,943	Inhibitor	Inhibition	false	null	-	11,488	zaurategrast	Synthetic organic	false	null	440,816,856
760	catalytic_receptor	Integrins	2,581	integrin α5β1	86,009	Antibody	Binding	true	9.49	pKd	10,236	volociximab	Antibody	false	null	381,744,918
760	catalytic_receptor	Integrins	2,799	integrin αEβ7	87,945	Antibody	Inhibition	false	null	-	8,407	etrolizumab	Antibody	false	null	252,166,617
760	catalytic_receptor	Integrins	2,579	integrin αIIbβ3	78,538	Antibody	Binding	true	null	-	6,584	abciximab	Antibody	true	FDA (1994)	178,103,197
760	catalytic_receptor	Integrins	2,579	integrin αIIbβ3	78,539	Inhibitor	Inhibition	true	null	pIC50	6,585	eptifibatide	Synthetic organic	true	FDA (1998), EMA (1999)	178,103,198
760	catalytic_receptor	Integrins	2,579	integrin αIIbβ3	78,543	Inhibitor	Inhibition	false	8.4	pKi	6,588	G4120	Peptide	false	null	178,103,201
760	catalytic_receptor	Integrins	2,579	integrin αIIbβ3	78,541	Inhibitor	Inhibition	false	7.43	pIC50	6,587	GR 144053	Synthetic organic	false	null	178,103,200
760	catalytic_receptor	Integrins	2,579	integrin αIIbβ3	78,540	Inhibitor	Inhibition	true	9.43	pIC50	6,586	tirofiban	Synthetic organic	true	FDA (1998)	178,103,199
760	catalytic_receptor	Integrins	2,582	integrin αLβ2	78,547	Inhibitor	Inhibition	null	null	pIC50	6,592	A286982	Synthetic organic	false	null	178,103,205
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	78,552	Antagonist	Antagonist	false	8.5	pIC50	6,597	cilengitide	Peptide	false	null	178,103,210
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	86,792	Antagonist	Antagonist	false	9.1	pIC50	10,495	CWHM12	Synthetic organic	false	null	387,065,577
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	78,549	Antagonist	Antagonist	false	11.7	pIC50	6,594	echistatin	Peptide	false	null	178,103,207
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	78,551	Antibody	Binding	true	6.34	pKd	6,596	etaracizumab	Antibody	false	null	178,103,209
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	86,793	Antagonist	Antagonist	false	8.4	pIC50	10,496	GSK2603566A	Synthetic organic	false	null	387,065,578
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	78,550	Antagonist	Antagonist	false	11.6	pIC50	6,595	P11	Peptide	false	null	178,103,208
760	catalytic_receptor	Integrins	2,583	integrin αVβ3	83,786	Activator	Activation	false	7.86	pKd	9,284	TP508	Peptide	false	null	318,164,803
760	catalytic_receptor	Integrins	2,442	integrin, alpha 3 subunit (antigen CD49C, alpha 3 subunit of VLA-3 receptor)	82,914	null	Binding	false	7.24	pIC50	8,849	peptide ligand 2 [PMID: 19055415]	Peptide	false	null	252,827,506
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,009	Antibody	Inhibition	false	11.05	pKd	11,531	abrilumab	Antibody	false	null	441,604,903
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,003	Inhibitor	Inhibition	false	null	-	10,511	carotegrast	Synthetic organic	false	null	387,065,593
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,004	Inhibitor	Inhibition	false	null	-	10,510	carotegrast methyl	Synthetic organic	true	null	387,065,592
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,007	Inhibitor	Inhibition	false	null	-	11,486	firategrast	Synthetic organic	false	null	440,816,854
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	78,990	Antibody	Inhibition	true	null	-	6,591	natalizumab	Antibody	true	FDA (2004), EMA (2006)	178,103,204
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,006	Inhibitor	Inhibition	false	null	-	11,487	valategrast	Synthetic organic	false	null	440,816,855
760	catalytic_receptor	Integrins	2,443	integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)	88,008	Inhibitor	Inhibition	false	null	-	11,488	zaurategrast	Synthetic organic	false	null	440,816,856
760	catalytic_receptor	Integrins	2,444	integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)	86,008	Antibody	Binding	true	9.49	pKd	10,236	volociximab	Antibody	false	null	381,744,918
760	catalytic_receptor	Integrins	2,446	integrin, alpha 7 subunit	88,005	Antibody	Binding	false	null	-	8,407	etrolizumab	Antibody	false	null	252,166,617
760	catalytic_receptor	Integrins	2,448	integrin, alpha 9 subunit	88,729	Antagonist	Antagonist	false	11.52	pKd	12,045	BOP	Peptide	false	null	472,319,168
760	catalytic_receptor	Integrins	2,448	integrin, alpha 9 subunit	88,725	null	Binding	false	null	-	12,044	SVEP1	Peptide	false	null	472,319,167
760	catalytic_receptor	Integrins	2,451	integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)	84,697	Inhibitor	Binding	false	8.05	pKd	9,719	BI-1950	Synthetic organic	false	null	348,353,678
760	catalytic_receptor	Integrins	2,451	integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)	84,698	Inhibitor	Binding	false	7.59	pKd	9,720	BIRT 377	Synthetic organic	false	null	348,353,679
760	catalytic_receptor	Integrins	2,451	integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)	81,836	Antibody	Binding	true	11.4	pKd	6,593	efalizumab	Antibody	true	FDA (2003), EMA (2004)	178,103,206
760	catalytic_receptor	Integrins	2,451	integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)	83,748	Antagonist	Inhibition	true	null	-	7,533	lifitegrast	Synthetic organic	true	FDA (2016)	187,051,834
760	catalytic_receptor	Integrins	2,451	integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)	84,401	Antibody	Binding	true	null	-	9,598	rovelizumab	Antibody	false	null	340,590,228
760	catalytic_receptor	Integrins	2,453	integrin, alpha V subunit	88,829	Antagonist	Antagonist	false	5.47	pIC50	12,108	bexotegrast	Synthetic organic	false	null	472,319,230
760	catalytic_receptor	Integrins	2,453	integrin, alpha V subunit	89,841	Antagonist	Antagonist	false	10.8	pKd	12,736	GSK3008348	Synthetic organic	false	null	483,123,284
760	catalytic_receptor	Integrins	2,453	integrin, alpha V subunit	84,633	Antagonist	Antagonist	false	7.1	pIC50	9,689	MK-0429	Synthetic organic	false	null	348,353,648
760	catalytic_receptor	Integrins	2,455	integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)	86,656	Inhibitor	Inhibition	false	7.7	pKi	10,450	compound 7 [PMID: 31381331]	Synthetic organic	false	null	385,612,210
760	catalytic_receptor	Integrins	2,456	integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)	84,402	Antibody	Binding	true	null	-	9,598	rovelizumab	Antibody	false	null	340,590,228
760	catalytic_receptor	Integrins	2,457	integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)	86,657	Inhibitor	Inhibition	false	6.8	pKi	10,450	compound 7 [PMID: 31381331]	Synthetic organic	false	null	385,612,210
760	catalytic_receptor	Integrins	2,459	integrin, beta 5 subunit	86,658	Inhibitor	Inhibition	false	7.3	pKi	10,450	compound 7 [PMID: 31381331]	Synthetic organic	false	null	385,612,210
760	catalytic_receptor	Integrins	2,460	integrin, beta 6 subunit	86,655	Inhibitor	Inhibition	true	9.97	pKi	10,450	compound 7 [PMID: 31381331]	Synthetic organic	false	null	385,612,210
760	catalytic_receptor	Integrins	2,462	integrin, beta 8 subunit	86,659	Inhibitor	Inhibition	false	7.6	pKi	10,450	compound 7 [PMID: 31381331]	Synthetic organic	false	null	385,612,210
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,437	Agonist	Agonist	null	null	-	4,955	IFN-α1/13	Peptide	false	null	178,101,653
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,444	Agonist	Agonist	null	null	-	4,956	IFN-α10	Peptide	false	null	178,101,654
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,445	Agonist	Agonist	null	null	-	4,957	IFN-α14	Peptide	false	null	178,101,655
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,446	Agonist	Agonist	null	null	-	4,958	IFN-α16	Peptide	false	null	178,101,656
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,447	Agonist	Agonist	null	null	-	4,959	IFN-α17	Peptide	false	null	178,101,657
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,438	Agonist	Agonist	null	null	-	4,960	IFN-α2	Peptide	true	FDA (1989)	178,101,658
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,448	Agonist	Agonist	null	null	-	4,961	IFN-α21	Peptide	false	null	178,101,659
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,439	Agonist	Agonist	null	null	-	4,962	IFN-α4	Peptide	false	null	178,101,660
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,440	Agonist	Agonist	null	null	-	4,963	IFN-α5	Peptide	false	null	178,101,661
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,441	Agonist	Agonist	null	null	-	4,964	IFN-α6	Peptide	false	null	178,101,662
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,442	Agonist	Agonist	null	null	-	4,965	IFN-α7	Peptide	false	null	178,101,663
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,443	Agonist	Agonist	null	null	-	4,966	IFN-α8	Peptide	false	null	178,101,664
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,449	Agonist	Agonist	null	null	-	4,967	IFN-β	Peptide	false	null	178,101,665
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,451	Agonist	Agonist	null	null	-	4,969	IFN-κ	Peptide	false	null	178,101,667
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	13,450	Agonist	Agonist	null	null	-	4,970	IFN-ω	Peptide	false	null	178,101,668
310	catalytic_receptor	Interferon receptor family	1,898	Interferon-α/β receptor	79,775	Agonist	Agonist	true	null	-	7,462	peginterferon alfa-2b	Peptide	true	EMA (2000), FDA (2001)	187,051,765
310	catalytic_receptor	Interferon receptor family	1,899	Interferon-γ receptor	13,452	Agonist	Agonist	null	null	-	4,968	IFN-γ	Peptide	true	FDA (1999)	178,101,666
310	catalytic_receptor	Interferon receptor family	1,723	interferon α/β receptor 1	81,898	Antibody	Binding	true	10	pKd	8,258	anifrolumab	Antibody	true	FDA (2021), EMA (2022)	249,565,938
310	catalytic_receptor	Interferon receptor family	1,723	interferon α/β receptor 1	84,762	Agonist	Agonist	false	7.8	pKd	4,967	IFN-β	Peptide	false	null	178,101,665
310	catalytic_receptor	Interferon receptor family	1,723	interferon α/β receptor 1	79,776	Agonist	Agonist	true	null	-	7,462	peginterferon alfa-2b	Peptide	true	EMA (2000), FDA (2001)	187,051,765
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,811	Activator	Activation	false	null	-	5,141	ataciguat	Synthetic organic	false	null	178,101,833
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,792	Activator	Activation	false	null	-	5,146	BAY412272	Synthetic organic	false	null	178,101,838
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,797	Activator	Activation	false	null	-	5,168	cinaciguat	Synthetic organic	false	null	178,101,858
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,824	Activator	Activation	true	null	-	2,509	NO	Inorganic	true	FDA (1999), EMA (2001)	178,100,228
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	78,409	Inhibitor	Inhibition	false	8.1	pIC50	6,554	NS 2028	Synthetic organic	false	null	178,103,168
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,743	Inhibitor	Inhibition	false	7.5	pIC50	5,234	ODQ	Synthetic organic	false	null	178,101,918
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	85,951	Activator	Activation	false	null	-	10,213	olinciguat	Synthetic organic	false	null	381,744,895
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	85,052	Activator	Activation	false	6.57	pEC50	9,900	praliciguat	Synthetic organic	false	null	363,894,194
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,798	Activator	Activation	false	null	-	5,257	riociguat	Synthetic organic	true	FDA (2013), EMA (2014)	178,101,941
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	89,124	Activator	Activation	false	null	-	12,359	runcaciguat	Synthetic organic	false	null	479,821,150
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	85,380	Activator	Activation	false	null	-	10,010	vericiguat	Synthetic organic	true	EMA & FDA (2021)	374,883,897
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	1,287	Guanylyl cyclase, α<sub>1</sub>β<sub>1</sub>	13,759	Activator	Activation	false	null	-	5,291	YC-1	Synthetic organic	false	null	178,101,974
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	83,569	Activator	Activation	false	null	-	5,168	cinaciguat	Synthetic organic	false	null	178,101,858
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	83,570	Inhibitor	Inhibition	false	null	-	5,234	ODQ	Synthetic organic	false	null	178,101,918
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	85,952	Activator	Activation	false	null	-	10,213	olinciguat	Synthetic organic	false	null	381,744,895
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	83,568	Activator	Activation	false	null	-	5,257	riociguat	Synthetic organic	true	FDA (2013), EMA (2014)	178,101,941
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	85,381	Activator	Activation	false	null	-	10,010	vericiguat	Synthetic organic	true	EMA & FDA (2021)	374,883,897
939	catalytic_receptor	Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase	2,897	Guanylyl cyclase, α<sub>2</sub>β<sub>1</sub>	83,567	Activator	Activation	false	null	-	5,291	YC-1	Synthetic organic	false	null	178,101,974
317	catalytic_receptor	NOD-like receptor family	1,768	NLRP1	13,477	Agonist	Agonist	null	null	-	5,024	muramyl dipeptide	Natural product	false	null	178,101,721
317	catalytic_receptor	NOD-like receptor family	1,770	NLRP3	90,189	Inhibitor	Inhibition	false	6.89	pIC50	13,044	compound 15z [PMID: 38029358]	Synthetic organic	false	null	491,299,826
317	catalytic_receptor	NOD-like receptor family	1,770	NLRP3	90,188	Inhibitor	Inhibition	false	6.99	pKd	13,044	compound 15z [PMID: 38029358]	Synthetic organic	false	null	491,299,826
317	catalytic_receptor	NOD-like receptor family	1,770	NLRP3	88,390	Inhibitor	Inhibition	false	6.59	pIC50	11,810	CP-424,174	Synthetic organic	false	null	458,923,845
317	catalytic_receptor	NOD-like receptor family	1,770	NLRP3	85,477	Inhibitor	Inhibition	false	6.3	pKd	10,057	CY-09	Synthetic organic	false	null	375,973,245

760

catalytic_receptor

Integrins

2,578

integrin α2β1

87,944

Inhibitor

Inhibition

false

null

-

11,489

BTT-3033

Synthetic organic

false

null

440,816,857

760

catalytic_receptor

Integrins

2,578

integrin α2β1

78,537

Inhibitor

Inhibition

null

7.9

pIC50

6,582

TCI15

Synthetic organic

false

null

178,103,196

760

catalytic_receptor

Integrins

2,580

integrin α4β1

78,544

Inhibitor

Inhibition

null

pIC50

6,589

BIO1211

Peptide

false

null

178,103,202

760

catalytic_receptor

Integrins

2,580

integrin α4β1

88,728

Antagonist

false

11.3

pKd

12,045

BOP

Peptide

false

null

472,319,168

760

catalytic_receptor

Integrins

2,580

integrin α4β1

86,812

Inhibitor

Inhibition

false

7.24

pIC50

10,511

carotegrast

Synthetic organic

false

null

387,065,593

760

catalytic_receptor

Integrins

2,580

integrin α4β1

87,938

Inhibitor

Inhibition

false

null

-

11,486

firategrast

Synthetic organic

false

null

440,816,854

760

catalytic_receptor

Integrins

2,580

integrin α4β1

78,546

Antibody

Inhibition

false

null

-

6,591

natalizumab

Antibody

true

FDA (2004), EMA (2006)

178,103,204

760

catalytic_receptor

Integrins

2,580

integrin α4β1

78,545

Inhibitor

Inhibition

null

-

6,590

TCS2314

Synthetic organic

false

null

178,103,203

760

catalytic_receptor

Integrins

2,580

integrin α4β1

87,939

Inhibitor

Inhibition

false

null

-

11,487

valategrast

Synthetic organic

false

null

440,816,855

760

catalytic_receptor

Integrins

2,580

integrin α4β1

87,940

Inhibitor

Inhibition

false

null

-

11,488

zaurategrast

Synthetic organic

false

null

440,816,856

760

catalytic_receptor

Integrins

2,770

integrin α4β7

86,813

Inhibitor

Inhibition

false

8.48

pIC50

10,511

carotegrast

Synthetic organic

false

null

387,065,593

760

catalytic_receptor

Integrins

2,770

integrin α4β7

82,116

Inhibitor

Binding

true

10.12

pIC50

8,407

etrolizumab

Antibody

false

null

252,166,617

760

catalytic_receptor

Integrins

2,770

integrin α4β7

87,941

Inhibitor

Inhibition

false

null

-

11,486

firategrast

Synthetic organic

false

null

440,816,854

760

catalytic_receptor

Integrins

2,770

integrin α4β7

87,942

Inhibitor

Inhibition

false

null

-

11,487

valategrast

Synthetic organic

false

null

440,816,855

760

catalytic_receptor

Integrins

2,770

integrin α4β7

79,738

Antibody

Antagonist

true

8.27

pIC50

7,437

vedolizumab

Antibody

true

FDA and EMA (2014)

178,104,009

760

catalytic_receptor

Integrins

2,770

integrin α4β7

87,943

Inhibitor

Inhibition

false

null

-

11,488

zaurategrast

Synthetic organic

false

null

440,816,856

760

catalytic_receptor

Integrins

2,581

integrin α5β1

86,009

Antibody

Binding

true

9.49

pKd

10,236

volociximab

Antibody

false

null

381,744,918

760

catalytic_receptor

Integrins

2,799

integrin αEβ7

87,945

Antibody

Inhibition

false

null

-

8,407

etrolizumab

Antibody

false

null

252,166,617

760

catalytic_receptor

Integrins

2,579

integrin αIIbβ3

78,538

Antibody

Binding

true

null

-

6,584

abciximab

Antibody

true

FDA (1994)

178,103,197

760

catalytic_receptor

Integrins

2,579

integrin αIIbβ3

78,539

Inhibitor

Inhibition

true

null

pIC50

6,585

eptifibatide

Synthetic organic

true

FDA (1998), EMA (1999)

178,103,198

760

catalytic_receptor

Integrins

2,579

integrin αIIbβ3

78,543

Inhibitor

Inhibition

false

8.4

pKi

6,588

G4120

Peptide

false

null

178,103,201

760

catalytic_receptor

Integrins

2,579

integrin αIIbβ3

78,541

Inhibitor

Inhibition

false

7.43

pIC50

6,587

GR 144053

Synthetic organic

false

null

178,103,200

760

catalytic_receptor

Integrins

2,579

integrin αIIbβ3

78,540

Inhibitor

Inhibition

true

9.43

pIC50

6,586

tirofiban

Synthetic organic

true

FDA (1998)

178,103,199

760

catalytic_receptor

Integrins

2,582

integrin αLβ2

78,547

Inhibitor

Inhibition

null

pIC50

6,592

A286982

Synthetic organic

false

null

178,103,205

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

78,552

Antagonist

false

8.5

pIC50

6,597

cilengitide

Peptide

false

null

178,103,210

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

86,792

Antagonist

false

9.1

pIC50

10,495

CWHM12

Synthetic organic

false

null

387,065,577

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

78,549

Antagonist

false

11.7

pIC50

6,594

echistatin

Peptide

false

null

178,103,207

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

78,551

Antibody

Binding

true

6.34

pKd

6,596

etaracizumab

Antibody

false

null

178,103,209

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

86,793

Antagonist

false

8.4

pIC50

10,496

GSK2603566A

Synthetic organic

false

null

387,065,578

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

78,550

Antagonist

false

11.6

pIC50

6,595

P11

Peptide

false

null

178,103,208

760

catalytic_receptor

Integrins

2,583

integrin αVβ3

83,786

Activator

Activation

false

7.86

pKd

9,284

TP508

Peptide

false

null

318,164,803

760

catalytic_receptor

Integrins

2,442

integrin, alpha 3 subunit (antigen CD49C, alpha 3 subunit of VLA-3 receptor)

82,914

null

Binding

false

7.24

pIC50

8,849

peptide ligand 2 [PMID: 19055415]

Peptide

false

null

252,827,506

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,009

Antibody

Inhibition

false

11.05

pKd

11,531

abrilumab

Antibody

false

null

441,604,903

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,003

Inhibitor

Inhibition

false

null

-

10,511

carotegrast

Synthetic organic

false

null

387,065,593

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,004

Inhibitor

Inhibition

false

null

-

10,510

carotegrast methyl

Synthetic organic

true

null

387,065,592

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,007

Inhibitor

Inhibition

false

null

-

11,486

firategrast

Synthetic organic

false

null

440,816,854

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

78,990

Antibody

Inhibition

true

null

-

6,591

natalizumab

Antibody

true

FDA (2004), EMA (2006)

178,103,204

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,006

Inhibitor

Inhibition

false

null

-

11,487

valategrast

Synthetic organic

false

null

440,816,855

760

catalytic_receptor

Integrins

2,443

integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)

88,008

Inhibitor

Inhibition

false

null

-

11,488

zaurategrast

Synthetic organic

false

null

440,816,856

760

catalytic_receptor

Integrins

2,444

integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)

86,008

Antibody

Binding

true

9.49

pKd

10,236

volociximab

Antibody

false

null

381,744,918

760

catalytic_receptor

Integrins

2,446

integrin, alpha 7 subunit

88,005

Antibody

Binding

false

null

-

8,407

etrolizumab

Antibody

false

null

252,166,617

760

catalytic_receptor

Integrins

2,448

integrin, alpha 9 subunit

88,729

Antagonist

false

11.52

pKd

12,045

BOP

Peptide

false

null

472,319,168

760

catalytic_receptor

Integrins

2,448

integrin, alpha 9 subunit

88,725

null

Binding

false

null

-

12,044

SVEP1

Peptide

false

null

472,319,167

760

catalytic_receptor

Integrins

2,451

integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)

84,697

Inhibitor

Binding

false

8.05

pKd

9,719

BI-1950

Synthetic organic

false

null

348,353,678

760

catalytic_receptor

Integrins

2,451

integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)

84,698

Inhibitor

Binding

false

7.59

pKd

9,720

BIRT 377

Synthetic organic

false

null

348,353,679

760

catalytic_receptor

Integrins

2,451

integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)

81,836

Antibody

Binding

true

11.4

pKd

6,593

efalizumab

Antibody

true

FDA (2003), EMA (2004)

178,103,206

760

catalytic_receptor

Integrins

2,451

integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)

83,748

Antagonist

Inhibition

true

null

-

7,533

lifitegrast

Synthetic organic

true

FDA (2016)

187,051,834

760

catalytic_receptor

Integrins

2,451

integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)

84,401

Antibody

Binding

true

null

-

9,598

rovelizumab

Antibody

false

null

340,590,228

760

catalytic_receptor

Integrins

2,453

integrin, alpha V subunit

88,829

Antagonist

false

5.47

pIC50

12,108

bexotegrast

Synthetic organic

false

null

472,319,230

760

catalytic_receptor

Integrins

2,453

integrin, alpha V subunit

89,841

Antagonist

false

10.8

pKd

12,736

GSK3008348

Synthetic organic

false

null

483,123,284

760

catalytic_receptor

Integrins

2,453

integrin, alpha V subunit

84,633

Antagonist

false

7.1

pIC50

9,689

MK-0429

Synthetic organic

false

null

348,353,648

760

catalytic_receptor

Integrins

2,455

integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)

86,656

Inhibitor

Inhibition

false

7.7

pKi

10,450

compound 7 [PMID: 31381331]

Synthetic organic

false

null

385,612,210

760

catalytic_receptor

Integrins

2,456

integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)

84,402

Antibody

Binding

true

null

-

9,598

rovelizumab

Antibody

false

null

340,590,228

760

catalytic_receptor

Integrins

2,457

integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)

86,657

Inhibitor

Inhibition

false

6.8

pKi

10,450

compound 7 [PMID: 31381331]

Synthetic organic

false

null

385,612,210

760

catalytic_receptor

Integrins

2,459

integrin, beta 5 subunit

86,658

Inhibitor

Inhibition

false

7.3

pKi

10,450

compound 7 [PMID: 31381331]

Synthetic organic

false

null

385,612,210

760

catalytic_receptor

Integrins

2,460

integrin, beta 6 subunit

86,655

Inhibitor

Inhibition

true

9.97

pKi

10,450

compound 7 [PMID: 31381331]

Synthetic organic

false

null

385,612,210

760

catalytic_receptor

Integrins

2,462

integrin, beta 8 subunit

86,659

Inhibitor

Inhibition

false

7.6

pKi

10,450

compound 7 [PMID: 31381331]

Synthetic organic

false

null

385,612,210

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,437

Agonist

null

-

4,955

IFN-α1/13

Peptide

false

null

178,101,653

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,444

Agonist

null

-

4,956

IFN-α10

Peptide

false

null

178,101,654

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,445

Agonist

null

-

4,957

IFN-α14

Peptide

false

null

178,101,655

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,446

Agonist

null

-

4,958

IFN-α16

Peptide

false

null

178,101,656

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,447

Agonist

null

-

4,959

IFN-α17

Peptide

false

null

178,101,657

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,438

Agonist

null

-

4,960

IFN-α2

Peptide

true

FDA (1989)

178,101,658

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,448

Agonist

null

-

4,961

IFN-α21

Peptide

false

null

178,101,659

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,439

Agonist

null

-

4,962

IFN-α4

Peptide

false

null

178,101,660

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,440

Agonist

null

-

4,963

IFN-α5

Peptide

false

null

178,101,661

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,441

Agonist

null

-

4,964

IFN-α6

Peptide

false

null

178,101,662

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,442

Agonist

null

-

4,965

IFN-α7

Peptide

false

null

178,101,663

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,443

Agonist

null

-

4,966

IFN-α8

Peptide

false

null

178,101,664

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,449

Agonist

null

-

4,967

IFN-β

Peptide

false

null

178,101,665

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,451

Agonist

null

-

4,969

IFN-κ

Peptide

false

null

178,101,667

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

13,450

Agonist

null

-

4,970

IFN-ω

Peptide

false

null

178,101,668

310

catalytic_receptor

Interferon receptor family

1,898

Interferon-α/β receptor

79,775

Agonist

true

null

-

7,462

peginterferon alfa-2b

Peptide

true

EMA (2000), FDA (2001)

187,051,765

310

catalytic_receptor

Interferon receptor family

1,899

Interferon-γ receptor

13,452

Agonist

null

-

4,968

IFN-γ

Peptide

true

FDA (1999)

178,101,666

310

catalytic_receptor

Interferon receptor family

1,723

interferon α/β receptor 1

81,898

Antibody

Binding

true

10

pKd

8,258

anifrolumab

Antibody

true

FDA (2021), EMA (2022)

249,565,938

310

catalytic_receptor

Interferon receptor family

1,723

interferon α/β receptor 1

84,762

Agonist

false

7.8

pKd

4,967

IFN-β

Peptide

false

null

178,101,665

310

catalytic_receptor

Interferon receptor family

1,723

interferon α/β receptor 1

79,776

Agonist

true

null

-

7,462

peginterferon alfa-2b

Peptide

true

EMA (2000), FDA (2001)

187,051,765

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,811

Activator

Activation

false

null

-

5,141

ataciguat

Synthetic organic

false

null

178,101,833

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,792

Activator

Activation

false

null

-

5,146

BAY412272

Synthetic organic

false

null

178,101,838

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,797

Activator

Activation

false

null

-

5,168

cinaciguat

Synthetic organic

false

null

178,101,858

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,824

Activator

Activation

true

null

-

2,509

NO

Inorganic

true

FDA (1999), EMA (2001)

178,100,228

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

78,409

Inhibitor

Inhibition

false

8.1

pIC50

6,554

NS 2028

Synthetic organic

false

null

178,103,168

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,743

Inhibitor

Inhibition

false

7.5

pIC50

5,234

ODQ

Synthetic organic

false

null

178,101,918

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

85,951

Activator

Activation

false

null

-

10,213

olinciguat

Synthetic organic

false

null

381,744,895

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

85,052

Activator

Activation

false

6.57

pEC50

9,900

praliciguat

Synthetic organic

false

null

363,894,194

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,798

Activator

Activation

false

null

-

5,257

riociguat

Synthetic organic

true

FDA (2013), EMA (2014)

178,101,941

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

89,124

Activator

Activation

false

null

-

12,359

runcaciguat

Synthetic organic

false

null

479,821,150

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

85,380

Activator

Activation

false

null

-

10,010

vericiguat

Synthetic organic

true

EMA & FDA (2021)

374,883,897

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

1,287

Guanylyl cyclase, α1β1

13,759

Activator

Activation

false

null

-

5,291

YC-1

Synthetic organic

false

null

178,101,974

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

83,569

Activator

Activation

false

null

-

5,168

cinaciguat

Synthetic organic

false

null

178,101,858

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

83,570

Inhibitor

Inhibition

false

null

-

5,234

ODQ

Synthetic organic

false

null

178,101,918

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

85,952

Activator

Activation

false

null

-

10,213

olinciguat

Synthetic organic

false

null

381,744,895

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

83,568

Activator

Activation

false

null

-

5,257

riociguat

Synthetic organic

true

FDA (2013), EMA (2014)

178,101,941

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

85,381

Activator

Activation

false

null

-

10,010

vericiguat

Synthetic organic

true

EMA & FDA (2021)

374,883,897

939

catalytic_receptor

Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase

2,897

Guanylyl cyclase, α2β1

83,567

Activator

Activation

false

null

-

5,291

YC-1

Synthetic organic

false

null

178,101,974

317

catalytic_receptor

NOD-like receptor family

1,768

NLRP1

13,477

Agonist

null

-

5,024

muramyl dipeptide

Natural product

false

null

178,101,721

317

catalytic_receptor

NOD-like receptor family

1,770

NLRP3

90,189

Inhibitor

Inhibition

false

6.89

pIC50

13,044

compound 15z [PMID: 38029358]

Synthetic organic

false

null

491,299,826

317

catalytic_receptor

NOD-like receptor family

1,770

NLRP3

90,188

Inhibitor

Inhibition

false

6.99

pKd

13,044

compound 15z [PMID: 38029358]

Synthetic organic

false

null

491,299,826

317

catalytic_receptor

NOD-like receptor family

1,770

NLRP3

88,390

Inhibitor

Inhibition

false

6.59

pIC50

11,810

CP-424,174

Synthetic organic

false

null

458,923,845

317

catalytic_receptor

NOD-like receptor family

1,770

NLRP3

85,477

Inhibitor

Inhibition

false

6.3

pKd

10,057

CY-09

Synthetic organic

false

null

375,973,245