Compile Data Set for Download or QSAR

Found 805 hits with Last Name = 'chakravarty' and Initial = 'pk'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325767 (3-(2'-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxami...) Show SMILES NC(=O)n1ccc(n1)-c1cccc(c1)-c1ccccc1Cl Show InChI InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325766 (3-(2'-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxami...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(cc1)-c1ccccc1Cl Show InChI InChI=1S/C16H12ClN3O/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325765 (3-(4-(4-chloro-2-fluorophenoxy)phenyl)-1H-pyrazole...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1 Show InChI InChI=1S/C16H11ClFN3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325764 (4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...) Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325819 ((Z)-5-((2'-(trifluoromethoxy)biphenyl-3-yl)methyle...) Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)-c1ccccc1OC(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C17H10F3NO3S/c18-17(19,20)24-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14-15(22)21-16(23)25-14/h1-9H,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Nav1.7				Bioorg Med Chem Lett 20: 5536-40 (2010) Article DOI: 10.1016/j.bmcl.2010.07.064 BindingDB Entry DOI: 10.7270/Q2FB535G
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325764 (4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...) Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 by VIPR assay				Bioorg Med Chem Lett 20: 7479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.10.017 BindingDB Entry DOI: 10.7270/Q2MW2HDH
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325762 (1-(2',4'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...) Show SMILES Cc1cc(nn1-c1cccc(c1)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(N)=O Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-6-5-12(18(20,21)22)9-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 by VIPR assay				Bioorg Med Chem Lett 20: 7479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.10.017 BindingDB Entry DOI: 10.7270/Q2MW2HDH
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50141073 ((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...) Show SMILES NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1 |w:5.5| Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Nav1.7				Bioorg Med Chem Lett 20: 5536-40 (2010) Article DOI: 10.1016/j.bmcl.2010.07.064 BindingDB Entry DOI: 10.7270/Q2FB535G
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035445 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039862 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F Show InChI InChI=1S/C33H28F4N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039880 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCCC1 Show InChI InChI=1S/C33H35F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h7-10,13-16,18-21,25H,2-6,11-12,17,22H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039929 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)C(C)C Show InChI InChI=1S/C29H31F3N4O5S2/c1-4-5-14-27-33-36(25-12-8-7-11-24(25)29(30,31)32)28(37)35(27)19-21-15-17-22(18-16-21)23-10-6-9-13-26(23)43(40,41)34-42(38,39)20(2)3/h6-13,15-18,20,34H,4-5,14,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039887 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C35H29F3N4O5S/c1-2-3-16-32-39-42(28-13-7-6-12-27(28)35(36,37)38)34(44)41(32)22-23-17-19-24(20-18-23)26-11-5-9-15-31(26)48(45,46)40-33(43)30-21-25-10-4-8-14-29(25)47-30/h4-15,17-21H,2-3,16,22H2,1H3,(H,40,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039882 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc(C)oc1C(F)(F)F Show InChI InChI=1S/C33H28F6N4O5S/c1-3-4-13-28-40-43(26-11-7-6-10-25(26)32(34,35)36)31(45)42(28)19-21-14-16-22(17-15-21)23-9-5-8-12-27(23)49(46,47)41-30(44)24-18-20(2)48-29(24)33(37,38)39/h5-12,14-18H,3-4,13,19H2,1-2H3,(H,41,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039930 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occ(Cl)c1Cl Show InChI InChI=1S/C31H25Cl2F3N4O5S/c1-2-3-12-26-37-40(24-10-6-5-9-22(24)31(34,35)36)30(42)39(26)17-19-13-15-20(16-14-19)21-8-4-7-11-25(21)46(43,44)38-29(41)28-27(33)23(32)18-45-28/h4-11,13-16,18H,2-3,12,17H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50038189 (4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta				J Med Chem 37: 4068-72 (1995) BindingDB Entry DOI: 10.7270/Q2DV1HZ3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039895 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H29F3N4O5S2/c1-2-3-17-30-36-39(28-15-9-8-14-27(28)32(33,34)35)31(40)38(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)46(43,44)37-45(41,42)25-11-5-4-6-12-25/h4-16,18-21,37H,2-3,17,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50282431 (Acyl sulfonamide derivative | CHEMBL350121) Show SMILES CCCCCCCC(=O)NS(=O)(=O)Nc1ccccc1-c1ccc(Cn2c(CCCC)ncc2C(O)=O)cc1 Show InChI InChI=1S/C29H38N4O5S/c1-3-5-7-8-9-15-28(34)32-39(37,38)31-25-13-11-10-12-24(25)23-18-16-22(17-19-23)21-33-26(29(35)36)20-30-27(33)14-6-4-2/h10-13,16-20,31H,3-9,14-15,21H2,1-2H3,(H,32,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace 125I-Sar,Ile8-AII in rabbit aorta				Bioorg Med Chem Lett 4: 69-74 (1994) Article DOI: 10.1016/S0960-894X(01)81124-0 BindingDB Entry DOI: 10.7270/Q2NS0TVK
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50229575 (CHEMBL2369937) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)| Show InChI InChI=1S/C59H86N16O12/c1-9-33(5)49(57(86)69-42(35(7)76)23-36-15-12-11-13-16-36)75-55(84)46(26-39-29-64-31-67-39)70-53(82)45(25-38-28-63-30-66-38)72-58(87)50(34(6)10-2)74-54(83)44(24-37-18-20-40(77)21-19-37)71-56(85)48(32(3)4)73-51(80)41(17-14-22-65-59(60)61)68-52(81)43(62-8)27-47(78)79/h11-13,15-16,18-21,28-34,41-46,48-50,62,77H,9-10,14,17,22-27H2,1-8H3,(H,63,66)(H,64,67)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,87)(H,73,80)(H,74,83)(H,75,84)(H,78,79)(H4,60,61,65)/t33-,34-,41-,42-,43-,44-,45-,46-,48-,49-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039921 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occc1C Show InChI InChI=1S/C32H29F3N4O5S/c1-3-4-13-28-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(28)20-22-14-16-23(17-15-22)24-9-5-8-12-27(24)45(42,43)37-30(40)29-21(2)18-19-44-29/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50038190 (4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)C Show InChI InChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta				J Med Chem 37: 4068-72 (1995) BindingDB Entry DOI: 10.7270/Q2DV1HZ3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039946 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1(C)SCCS1 Show InChI InChI=1S/C31H31F3N4O4S3/c1-3-4-13-27-35-38(25-11-7-6-10-24(25)31(32,33)34)29(40)37(27)20-21-14-16-22(17-15-21)23-9-5-8-12-26(23)45(41,42)36-28(39)30(2)43-18-19-44-30/h5-12,14-17H,3-4,13,18-20H2,1-2H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039899 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1oc(C)cc1C Show InChI InChI=1S/C33H31F3N4O5S/c1-4-5-14-29-37-40(27-12-8-7-11-26(27)33(34,35)36)32(42)39(29)20-23-15-17-24(18-16-23)25-10-6-9-13-28(25)46(43,44)38-31(41)30-21(2)19-22(3)45-30/h6-13,15-19H,4-5,14,20H2,1-3H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039922 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccco1 Show InChI InChI=1S/C31H27F3N4O5S/c1-2-3-14-28-35-38(25-11-6-5-10-24(25)31(32,33)34)30(40)37(28)20-21-15-17-22(18-16-21)23-9-4-7-13-27(23)44(41,42)36-29(39)26-12-8-19-43-26/h4-13,15-19H,2-3,14,20H2,1H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039885 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1sccc1Cl Show InChI InChI=1S/C31H26ClF3N4O4S2/c1-2-3-12-27-36-39(25-10-6-5-9-23(25)31(33,34)35)30(41)38(27)19-20-13-15-21(16-14-20)22-8-4-7-11-26(22)45(42,43)37-29(40)28-24(32)17-18-44-28/h4-11,13-18H,2-3,12,19H2,1H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039926 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C34H28F6N4O4S/c1-2-3-16-30-41-44(28-14-8-7-13-27(28)34(38,39)40)32(46)43(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)49(47,48)42-31(45)25-11-4-6-12-26(25)33(35,36)37/h4-15,17-20H,2-3,16,21H2,1H3,(H,42,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50038192 (4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...) Show SMILES CCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1 Show InChI InChI=1S/C27H30N4O3S/c1-5-9-25(32)30-35(33,34)23-11-8-7-10-22(23)21-14-12-20(13-15-21)17-31-24(6-2)29-26-18(3)16-19(4)28-27(26)31/h7-8,10-16H,5-6,9,17H2,1-4H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta				J Med Chem 37: 4068-72 (1995) BindingDB Entry DOI: 10.7270/Q2DV1HZ3
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50229912 (CHEMBL315104) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039904 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCCCC1 Show InChI InChI=1S/C34H37F3N4O4S/c1-2-3-18-31-38-41(29-16-10-9-15-28(29)34(35,36)37)33(43)40(31)23-24-19-21-25(22-20-24)27-14-8-11-17-30(27)46(44,45)39-32(42)26-12-6-4-5-7-13-26/h8-11,14-17,19-22,26H,2-7,12-13,18,23H2,1H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50009718 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50009718 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta				J Med Chem 37: 4068-72 (1995) BindingDB Entry DOI: 10.7270/Q2DV1HZ3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039938 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H29F3N4O4S2/c1-2-3-16-32-39-42(28-13-7-6-12-27(28)35(36,37)38)34(44)41(32)22-23-17-19-24(20-18-23)26-11-5-9-15-31(26)48(45,46)40-33(43)30-21-25-10-4-8-14-29(25)47-30/h4-15,17-21H,2-3,16,22H2,1H3,(H,40,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat brain tissue preparation				Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039924 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCC1 Show InChI InChI=1S/C32H33F3N4O4S/c1-2-3-16-29-36-39(27-14-8-7-13-26(27)32(33,34)35)31(41)38(29)21-22-17-19-23(20-18-22)25-12-6-9-15-28(25)44(42,43)37-30(40)24-10-4-5-11-24/h6-9,12-15,17-20,24H,2-5,10-11,16,21H2,1H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat adrenal tissue preparation				Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039894 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1SCCS1 Show InChI InChI=1S/C30H29F3N4O4S3/c1-2-3-12-26-34-37(24-10-6-5-9-23(24)30(31,32)33)29(39)36(26)19-20-13-15-21(16-14-20)22-8-4-7-11-25(22)44(40,41)35-27(38)28-42-17-18-43-28/h4-11,13-16,28H,2-3,12,17-19H2,1H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039858 (4'-[5-Oxo-3-(4,4,4-trifluoro-butyl)-1-(2-trifluoro...) Show SMILES FC(F)(F)CCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C33H25ClF6N4O4S/c34-26-11-4-1-9-24(26)30(45)42-49(47,48)28-13-6-2-8-23(28)22-17-15-21(16-18-22)20-43-29(14-7-19-32(35,36)37)41-44(31(43)46)27-12-5-3-10-25(27)33(38,39)40/h1-6,8-13,15-18H,7,14,19-20H2,(H,42,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039853 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CC1(C)C Show InChI InChI=1S/C32H33F3N4O4S/c1-4-5-14-28-36-39(26-12-8-7-11-24(26)32(33,34)35)30(41)38(28)20-21-15-17-22(18-16-21)23-10-6-9-13-27(23)44(42,43)37-29(40)25-19-31(25,2)3/h6-13,15-18,25H,4-5,14,19-20H2,1-3H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039870 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1(C)CC1(Cl)Cl Show InChI InChI=1S/C31H29Cl2F3N4O4S/c1-3-4-13-26-37-40(24-11-7-6-10-23(24)31(34,35)36)28(42)39(26)18-20-14-16-21(17-15-20)22-9-5-8-12-25(22)45(43,44)38-27(41)29(2)19-30(29,32)33/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039865 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1C2CCC(C2)C1=C |TLB:37:39:44:41.42,THB:46:45:44:41.42| Show InChI InChI=1S/C35H35F3N4O4S/c1-3-4-13-31-39-42(29-11-7-6-10-28(29)35(36,37)38)34(44)41(31)21-23-14-16-24(17-15-23)27-9-5-8-12-30(27)47(45,46)40-33(43)32-22(2)25-18-19-26(32)20-25/h5-12,14-17,25-26,32H,2-4,13,18-21H2,1H3,(H,40,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039923 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(C)o1 Show InChI InChI=1S/C32H29F3N4O5S/c1-3-4-13-29-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(29)20-22-15-17-23(18-16-22)24-9-5-8-12-28(24)45(42,43)37-30(40)27-19-14-21(2)44-27/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039863 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Br Show InChI InChI=1S/C33H28BrF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039913 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(Br)o1 Show InChI InChI=1S/C31H26BrF3N4O5S/c1-2-3-12-28-36-39(24-10-6-5-9-23(24)31(33,34)35)30(41)38(28)19-20-13-15-21(16-14-20)22-8-4-7-11-26(22)45(42,43)37-29(40)25-17-18-27(32)44-25/h4-11,13-18H,2-3,12,19H2,1H3,(H,37,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039903 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1OC Show InChI InChI=1S/C34H31F3N4O5S/c1-3-4-17-31-38-41(28-14-8-7-13-27(28)34(35,36)37)33(43)40(31)22-23-18-20-24(21-19-23)25-11-6-10-16-30(25)47(44,45)39-32(42)26-12-5-9-15-29(26)46-2/h5-16,18-21H,3-4,17,22H2,1-2H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039864 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C Show InChI InChI=1S/C31H33F3N4O5S/c1-4-5-14-28-35-38(26-12-8-7-11-25(26)31(32,33)34)30(40)37(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)44(41,42)36-29(39)43-20-21(2)3/h6-13,15-18,21H,4-5,14,19-20H2,1-3H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1				Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50039877 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1oc2ccccc2c1C Show InChI InChI=1S/C36H31F3N4O5S/c1-3-4-17-32-40-43(29-14-8-7-13-28(29)36(37,38)39)35(45)42(32)22-24-18-20-25(21-19-24)27-12-6-10-16-31(27)49(46,47)41-34(44)33-23(2)26-11-5-9-15-30(26)48-33/h5-16,18-21H,3-4,17,22H2,1-2H3,(H,41,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50035451 (2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII				J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50042742 (CHEMBL340367 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C37H41N3O4/c1-6-13-27-20-26(23-40-32(8-3)39-33-24(4)19-25(5)38-36(33)40)21-28(14-7-2)34(27)44-35(37(41)42)29-15-12-18-31(22-29)43-30-16-10-9-11-17-30/h9-12,15-22,35H,6-8,13-14,23H2,1-5H3,(H,41,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [1251][Sar1,IIe8]AII from rabbit aorta Angiotensin II receptor, type 1				J Med Chem 36: 3738-42 (1994) BindingDB Entry DOI: 10.7270/Q2J1027W
					More data for this Ligand-Target Pair

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