Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50034767   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50403242 (CHEMBL2079790) Show SMILES CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nn[n-]n3)c2c1 |c:12| Show InChI InChI=1S/C33H32N9O2/c1-20-16-29(43)42(19-30(44)40(2)3)37-31(20)24-14-15-27-28(17-24)41(33(34-27)23-12-13-23)18-21-8-10-22(11-9-21)25-6-4-5-7-26(25)32-35-38-39-36-32/h4-11,14-15,17,20,23H,12-13,16,18-19H2,1-3H3/q-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50403247 (CHEMBL2079791) Show SMILES CN(C)C(=O)CN1N=C(CCC1=O)c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nn[n-]n3)c2c1 |c:7| Show InChI InChI=1S/C32H30N9O2/c1-39(2)30(43)19-41-29(42)16-15-26(36-41)23-13-14-27-28(17-23)40(32(33-27)22-11-12-22)18-20-7-9-21(10-8-20)24-5-3-4-6-25(24)31-34-37-38-35-31/h3-10,13-14,17,22H,11-12,15-16,18-19H2,1-2H3/q-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50282613 (6-{2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:6| Show InChI InChI=1S/C29H26N8O/c1-17-14-26(38)31-32-27(17)21-12-13-24-25(15-21)37(29(30-24)20-10-11-20)16-18-6-8-19(9-7-18)22-4-2-3-5-23(22)28-33-35-36-34-28/h2-9,12-13,15,17,20H,10-11,14,16H2,1H3,(H,31,38)(H,33,34,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50403246 (CHEMBL2079787) Show SMILES CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(cc4)-c4ccccc4-c4nn[n-]n4)c3c2)C(C)(C)CC1=O |t:7| Show InChI InChI=1S/C34H34N9O2/c1-34(2)18-29(44)43(20-30(45)41(3)4)38-31(34)24-15-16-27-28(17-24)42(33(35-27)23-13-14-23)19-21-9-11-22(12-10-21)25-7-5-6-8-26(25)32-36-39-40-37-32/h5-12,15-17,23H,13-14,18-20H2,1-4H3/q-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50403245 (CHEMBL2079788) Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1=NN(CC(=O)N(C)C)C(=O)CC1 |t:35| Show InChI InChI=1S/C32H32N9O2/c1-4-7-29-33-27-15-14-23(26-16-17-30(42)41(36-26)20-31(43)39(2)3)18-28(27)40(29)19-21-10-12-22(13-11-21)24-8-5-6-9-25(24)32-34-37-38-35-32/h5-6,8-15,18H,4,7,16-17,19-20H2,1-3H3/q-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50282616 (6-{2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES Cc1cc(=O)[nH]nc1-c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 Show InChI InChI=1S/C29H24N8O/c1-17-14-26(38)31-32-27(17)21-12-13-24-25(15-21)37(29(30-24)20-10-11-20)16-18-6-8-19(9-7-18)22-4-2-3-5-23(22)28-33-35-36-34-28/h2-9,12-15,20H,10-11,16H2,1H3,(H,31,38)(H,33,34,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM82258 (CAS_114798-26-4 | Losartan | NSC_3961) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50403243 (CHEMBL2079789) Show SMILES CCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1=NN(CC(=O)N(C)C)C(=O)CC1 |t:34| Show InChI InChI=1S/C31H30N9O2/c1-4-28-32-26-14-13-22(25-15-16-29(41)40(35-25)19-30(42)38(2)3)17-27(26)39(28)18-20-9-11-21(12-10-20)23-7-5-6-8-24(23)31-33-36-37-34-31/h5-14,17H,4,15-16,18-19H2,1-3H3/q-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50282611 ((3-{2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES COC(=O)CN1N=C(C(C)CC1=O)c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:6| Show InChI InChI=1S/C32H30N8O3/c1-19-15-28(41)40(18-29(42)43-2)36-30(19)23-13-14-26-27(16-23)39(32(33-26)22-11-12-22)17-20-7-9-21(10-8-20)24-5-3-4-6-25(24)31-34-37-38-35-31/h3-10,13-14,16,19,22H,11-12,15,17-18H2,1-2H3,(H,34,35,37,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50403244 (CHEMBL2079785) Show SMILES CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nn[n-]n3)c2c1 |c:7| Show InChI InChI=1S/C30H28N8O/c1-30(2)16-26(39)32-33-27(30)21-13-14-24-25(15-21)38(29(31-24)20-11-12-20)17-18-7-9-19(10-8-18)22-5-3-4-6-23(22)28-34-36-37-35-28/h3-10,13-15,20H,11-12,16-17H2,1-2H3,(H2,32,34,35,36,37,39)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282626 (6-{2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...) Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C1=NNC(=O)CC1C |t:36| Show InChI InChI=1S/C30H30N8O/c1-3-4-9-27-31-25-15-14-22(29-19(2)16-28(39)32-33-29)17-26(25)38(27)18-20-10-12-21(13-11-20)23-7-5-6-8-24(23)30-34-36-37-35-30/h5-8,10-15,17,19H,3-4,9,16,18H2,1-2H3,(H,32,39)(H,34,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282629 (6-{2-Butyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...) Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C1=NNC(=O)CC1C |t:36| Show InChI InChI=1S/C30H30N8O/c1-3-4-9-27-31-25-17-22(29-19(2)16-28(39)32-33-29)14-15-26(25)38(27)18-20-10-12-21(13-11-20)23-7-5-6-8-24(23)30-34-36-37-35-30/h5-8,10-15,17,19H,3-4,9,16,18H2,1-2H3,(H,32,39)(H,34,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282623 (6-{2-(4-Methoxy-phenyl)-1-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES COc1ccc(cc1)-c1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C1=NNC(=O)CC1C |t:41| Show InChI InChI=1S/C33H28N8O2/c1-20-17-30(42)35-36-31(20)24-13-16-29-28(18-24)34-33(23-11-14-25(43-2)15-12-23)41(29)19-21-7-9-22(10-8-21)26-5-3-4-6-27(26)32-37-39-40-38-32/h3-16,18,20H,17,19H2,1-2H3,(H,35,42)(H,37,38,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282621 (6-(2-Butyl-1H-benzoimidazol-5-yl)-5-methyl-2-[2'-(...) Show SMILES CCCCc1nc2ccc(cc2[nH]1)C1=NN(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1C |t:15| Show InChI InChI=1S/C30H30N8O/c1-3-4-9-27-31-25-15-14-22(17-26(25)32-27)29-19(2)16-28(39)38(35-29)18-20-10-12-21(13-11-20)23-7-5-6-8-24(23)30-33-36-37-34-30/h5-8,10-15,17,19H,3-4,9,16,18H2,1-2H3,(H,31,32)(H,33,34,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282617 (6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-met...) Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C1=NNC(=O)CC1C |t:20| Show InChI InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282615 (6-[2-(4-Methoxy-phenyl)-1H-benzoimidazol-5-yl]-5-m...) Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C1=NN(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1C |t:20| Show InChI InChI=1S/C33H28N8O2/c1-20-17-30(42)41(19-21-7-9-22(10-8-21)26-5-3-4-6-27(26)33-36-39-40-37-33)38-31(20)24-13-16-28-29(18-24)35-32(34-28)23-11-14-25(43-2)15-12-23/h3-16,18,20H,17,19H2,1-2H3,(H,34,35)(H,36,37,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282612 (6-(2-Butyl-1H-benzoimidazol-5-yl)-5-methyl-4,5-dih...) Show SMILES CCCCc1nc2ccc(cc2[nH]1)C1=NNC(=O)CC1C |t:15| Show InChI InChI=1S/C16H20N4O/c1-3-4-5-14-17-12-7-6-11(9-13(12)18-14)16-10(2)8-15(21)19-20-16/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1297-1302 (1994) Article DOI: 10.1016/S0960-894X(01)80348-6 BindingDB Entry DOI: 10.7270/Q2G44QRD
					More data for this Ligand-Target Pair