Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'beyer' and Initial = 'sm'   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125339 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O5S/c1-6-10-26-31-24(7-2)27(28(30)35)34(26)16-20-13-14-22(21(15-20)17-38-5)23-11-8-9-12-25(23)40(36,37)33-29-18(3)19(4)32-39-29/h8-9,11-15,33H,6-7,10,16-17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125343 (2'-(3,3-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-(...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C36H43N5O5S/c1-6-11-32-37-29-13-8-9-14-30(42)33(29)41(32)21-25-16-17-27(26(20-25)22-40-19-18-36(4,5)35(40)43)28-12-7-10-15-31(28)47(44,45)39-34-23(2)24(3)38-46-34/h7,10,12,15-17,20,39H,6,8-9,11,13-14,18-19,21-22H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125362 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-ethy...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125356 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-(2-f...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H36FN5O5S/c1-5-9-27-33-25(6-2)28(29(32)37)36(27)17-21-12-13-23(22(16-21)18-40-15-14-31)24-10-7-8-11-26(24)42(38,39)35-30-19(3)20(4)34-41-30/h7-8,10-13,16,35H,5-6,9,14-15,17-18H2,1-4H3,(H2,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125359 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(29)34)33(25)16-20-13-14-21(17(3)15-20)22-11-8-9-12-24(22)38(35,36)32-28-18(4)19(5)31-37-28/h8-9,11-15,32H,6-7,10,16H2,1-5H3,(H2,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125352 (2'-Methyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H34N4O4S/c1-5-10-28-31-25-12-7-8-13-26(35)29(25)34(28)18-22-15-16-23(19(2)17-22)24-11-6-9-14-27(24)39(36,37)33-30-20(3)21(4)32-38-30/h6,9,11,14-17,33H,5,7-8,10,12-13,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125350 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-etho...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H37N5O5S/c1-6-11-27-32-25(7-2)28(29(31)36)35(27)17-21-14-15-23(22(16-21)18-39-8-3)24-12-9-10-13-26(24)41(37,38)34-30-19(4)20(5)33-40-30/h9-10,12-16,34H,6-8,11,17-18H2,1-5H3,(H2,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125339 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O5S/c1-6-10-26-31-24(7-2)27(28(30)35)34(26)16-20-13-14-22(21(15-20)17-38-5)23-11-8-9-12-25(23)40(36,37)33-29-18(3)19(4)32-39-29/h8-9,11-15,33H,6-7,10,16-17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125345 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-7-11-26-31-24(8-2)27(28(35)30-6)34(26)17-21-14-15-22(18(3)16-21)23-12-9-10-13-25(23)39(36,37)33-29-19(4)20(5)32-38-29/h9-10,12-16,33H,7-8,11,17H2,1-6H3,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125340 (2'-Methoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrah...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H36N4O5S/c1-5-10-29-32-26-12-7-8-13-27(36)30(26)35(29)18-22-15-16-24(23(17-22)19-39-4)25-11-6-9-14-28(25)41(37,38)34-31-20(2)21(3)33-40-31/h6,9,11,14-17,34H,5,7-8,10,12-13,18-19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50117911 (4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C29H34N4O4S/c1-4-5-12-26-30-29(17-8-9-18-29)28(34)33(26)19-22-13-15-23(16-14-22)24-10-6-7-11-25(24)38(35,36)32-27-20(2)21(3)31-37-27/h6-7,10-11,13-16,32H,4-5,8-9,12,17-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125360 (2'-Ethoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahy...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C32H38N4O5S/c1-5-11-30-33-27-13-8-9-14-28(37)31(27)36(30)19-23-16-17-25(24(18-23)20-40-6-2)26-12-7-10-15-29(26)42(38,39)35-32-21(3)22(4)34-41-32/h7,10,12,15-18,35H,5-6,8-9,11,13-14,19-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125359 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(29)34)33(25)16-20-13-14-21(17(3)15-20)22-11-8-9-12-24(22)38(35,36)32-28-18(4)19(5)31-37-28/h8-9,11-15,32H,6-7,10,16H2,1-5H3,(H2,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125345 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-7-11-26-31-24(8-2)27(28(35)30-6)34(26)17-21-14-15-22(18(3)16-21)23-12-9-10-13-25(23)39(36,37)33-29-19(4)20(5)32-38-29/h9-10,12-16,33H,7-8,11,17H2,1-6H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125362 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-ethy...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125361 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H37N5O5S/c1-7-11-27-32-25(8-2)28(29(36)31-5)35(27)17-21-14-15-23(22(16-21)18-39-6)24-12-9-10-13-26(24)41(37,38)34-30-19(3)20(4)33-40-30/h9-10,12-16,34H,7-8,11,17-18H2,1-6H3,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125358 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-biphen...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C27H31N5O4S/c1-5-9-24-29-22(6-2)25(26(28)33)32(24)16-19-12-14-20(15-13-19)21-10-7-8-11-23(21)37(34,35)31-27-17(3)18(4)30-36-27/h7-8,10-15,31H,5-6,9,16H2,1-4H3,(H2,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125341 (4'-(8-Oxo-2-propyl-5,6,7,8-tetrahydro-4H-cyclohept...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H32N4O4S/c1-4-9-27-30-24-11-6-7-12-25(34)28(24)33(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)38(35,36)32-29-19(2)20(3)31-37-29/h5,8,10,13-17,32H,4,6-7,9,11-12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125361 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H37N5O5S/c1-7-11-27-32-25(8-2)28(29(36)31-5)35(27)17-21-14-15-23(22(16-21)18-39-6)24-12-9-10-13-26(24)41(37,38)34-30-19(3)20(4)33-40-30/h9-10,12-16,34H,7-8,11,17-18H2,1-6H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125356 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-(2-f...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H36FN5O5S/c1-5-9-27-33-25(6-2)28(29(32)37)36(27)17-21-12-13-23(22(16-21)18-40-15-14-31)24-10-7-8-11-26(24)42(38,39)35-30-19(3)20(4)34-41-30/h7-8,10-13,16,35H,5-6,9,14-15,17-18H2,1-4H3,(H2,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125344 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-biphen...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(34)29-5)33(25)17-20-13-15-21(16-14-20)22-11-8-9-12-24(22)38(35,36)32-28-18(3)19(4)31-37-28/h8-9,11-16,32H,6-7,10,17H2,1-5H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125352 (2'-Methyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H34N4O4S/c1-5-10-28-31-25-12-7-8-13-26(35)29(25)34(28)18-22-15-16-23(19(2)17-22)24-11-6-9-14-27(24)39(36,37)33-30-20(3)21(4)32-38-30/h6,9,11,14-17,33H,5,7-8,10,12-13,18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125348 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-etho...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H39N5O5S/c1-7-12-28-33-26(8-2)29(30(37)32-6)36(28)18-22-15-16-24(23(17-22)19-40-9-3)25-13-10-11-14-27(25)42(38,39)35-31-20(4)21(5)34-41-31/h10-11,13-17,35H,7-9,12,18-19H2,1-6H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125347 (2'-Hydroxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrah...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H34N4O5S/c1-4-9-28-31-25-11-6-7-12-26(36)29(25)34(28)17-21-14-15-23(22(16-21)18-35)24-10-5-8-13-27(24)40(37,38)33-30-19(2)20(3)32-39-30/h5,8,10,13-16,33,35H,4,6-7,9,11-12,17-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125354 (2'-Cyanomethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahyd...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H33N5O4S/c1-4-9-29-33-26-11-6-7-12-27(37)30(26)36(29)19-22-14-15-24(23(18-22)16-17-32)25-10-5-8-13-28(25)41(38,39)35-31-20(2)21(3)34-40-31/h5,8,10,13-15,18,35H,4,6-7,9,11-12,16,19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125344 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-biphen...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(34)29-5)33(25)17-20-13-15-21(16-14-20)22-11-8-9-12-24(22)38(35,36)32-28-18(3)19(4)31-37-28/h8-9,11-16,32H,6-7,10,17H2,1-5H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125355 (2'-Fluoro-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H31FN4O4S/c1-4-9-27-31-24-11-6-7-12-25(35)28(24)34(27)17-20-14-15-21(23(30)16-20)22-10-5-8-13-26(22)39(36,37)33-29-18(2)19(3)32-38-29/h5,8,10,13-16,33H,4,6-7,9,11-12,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125354 (2'-Cyanomethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahyd...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H33N5O4S/c1-4-9-29-33-26-11-6-7-12-27(37)30(26)36(29)19-22-14-15-24(23(18-22)16-17-32)25-10-5-8-13-28(25)41(38,39)35-31-20(2)21(3)34-40-31/h5,8,10,13-15,18,35H,4,6-7,9,11-12,16,19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125340 (2'-Methoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrah...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H36N4O5S/c1-5-10-29-32-26-12-7-8-13-27(36)30(26)35(29)18-22-15-16-24(23(17-22)19-39-4)25-11-6-9-14-28(25)41(37,38)34-31-20(2)21(3)33-40-31/h6,9,11,14-17,34H,5,7-8,10,12-13,18-19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125360 (2'-Ethoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahy...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C32H38N4O5S/c1-5-11-30-33-27-13-8-9-14-28(37)31(27)36(30)19-23-16-17-25(24(18-23)20-40-6-2)26-12-7-10-15-29(26)42(38,39)35-32-21(3)22(4)34-41-32/h7,10,12,15-18,35H,5-6,8-9,11,13-14,19-20H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125355 (2'-Fluoro-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H31FN4O4S/c1-4-9-27-31-24-11-6-7-12-25(35)28(24)34(27)17-20-14-15-21(23(30)16-20)22-10-5-8-13-26(22)39(36,37)33-29-18(2)19(3)32-38-29/h5,8,10,13-16,33H,4,6-7,9,11-12,17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125350 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-etho...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H37N5O5S/c1-6-11-27-32-25(7-2)28(29(31)36)35(27)17-21-14-15-23(22(16-21)18-39-8-3)24-12-9-10-13-26(24)41(37,38)34-30-19(4)20(5)33-40-30/h9-10,12-16,34H,6-8,11,17-18H2,1-5H3,(H2,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125346 (5-Chloro-3-[2'-(3,4-dimethyl-isoxazol-5-ylsulfamoy...) Show SMILES CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C25H26ClN5O4S/c1-4-7-21-28-23(26)22(24(27)32)31(21)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)36(33,34)30-25-15(2)16(3)29-35-25/h5-6,8-13,30H,4,7,14H2,1-3H3,(H2,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125348 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-etho...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H39N5O5S/c1-7-12-28-33-26(8-2)29(30(37)32-6)36(28)18-22-15-16-24(23(17-22)19-40-9-3)25-13-10-11-14-27(25)42(38,39)35-31-20(4)21(5)34-41-31/h10-11,13-17,35H,7-9,12,18-19H2,1-6H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125349 (5-Chloro-3-[2'-(3,4-dimethyl-isoxazol-5-ylsulfamoy...) Show SMILES CCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C26H27ClN4O5S/c1-5-8-22-28-24(27)23(26(32)35-4)31(22)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)37(33,34)30-25-16(2)17(3)29-36-25/h6-7,9-14,30H,5,8,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125357 (2-Butyl-5-chloro-3-[2'-(3,4-dimethyl-isoxazol-5-yl...) Show SMILES CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C26H28ClN5O4S/c1-4-5-10-22-29-24(27)23(25(28)33)32(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)37(34,35)31-26-16(2)17(3)30-36-26/h6-9,11-14,31H,4-5,10,15H2,1-3H3,(H2,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125347 (2'-Hydroxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrah...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H34N4O5S/c1-4-9-28-31-25-11-6-7-12-26(36)29(25)34(28)17-21-14-15-23(22(16-21)18-35)24-10-5-8-13-27(24)40(37,38)33-30-19(2)20(3)32-39-30/h5,8,10,13-16,33,35H,4,6-7,9,11-12,17-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125353 (3-[2-Chloro-2'-(3,4-dimethyl-isoxazol-5-ylsulfamoy...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(Cl)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C27H30ClN5O4S/c1-5-9-24-30-22(6-2)25(26(29)34)33(24)15-18-12-13-19(21(28)14-18)20-10-7-8-11-23(20)38(35,36)32-27-16(3)17(4)31-37-27/h7-8,10-14,32H,5-6,9,15H2,1-4H3,(H2,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117911 (4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C29H34N4O4S/c1-4-5-12-26-30-29(17-8-9-18-29)28(34)33(26)19-22-13-15-23(16-14-22)24-10-6-7-11-25(24)38(35,36)32-27-20(2)21(3)31-37-27/h6-7,10-11,13-16,32H,4-5,8-9,12,17-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair

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