Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50012933   

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))	BDBM50124496 (CHEMBL368996 | Pyrazin-2-yl-carbamic acid 4-[6-(5-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1 Show InChI InChI=1S/C32H34N8O8S/c1-22(2)23-10-11-27(35-20-23)49(42,43)39-29-28(48-25-9-5-4-8-24(25)44-3)30(38-31(37-29)40-14-18-45-19-15-40)46-16-6-7-17-47-32(41)36-26-21-33-12-13-34-26/h4-5,8-13,20-22H,14-19H2,1-3H3,(H,34,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia 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
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124474 (CHEMBL94786 | Pyridin-2-yl-carbamic acid 4-[6-(5-i...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C33H35N7O8S/c1-23(2)24-13-14-28(35-22-24)49(42,43)39-30-29(48-26-11-5-4-10-25(26)44-3)31(38-32(37-30)40-16-20-45-21-17-40)46-18-8-9-19-47-33(41)36-27-12-6-7-15-34-27/h4-7,10-15,22-23H,16-21H2,1-3H3,(H,34,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124465 (CHEMBL367453 | Pyridin-2-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-12-13-26(33-21-22)47(40,41)37-28-27(46-24-10-4-3-9-23(24)42-2)29(36-30(35-28)38-15-19-43-20-16-38)44-17-7-8-18-45-31(39)34-25-11-5-6-14-32-25/h3-6,9-14,21H,15-20H2,1-2H3,(H,32,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124453 (CHEMBL175058 | Pyrazin-2-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1 Show InChI InChI=1S/C30H30N8O8S/c1-21-9-10-25(33-19-21)47(40,41)37-27-26(46-23-8-4-3-7-22(23)42-2)28(36-29(35-27)38-13-17-43-18-14-38)44-15-5-6-16-45-30(39)34-24-20-31-11-12-32-24/h3-4,7-12,19-20H,13-18H2,1-2H3,(H,32,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124487 (5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C26H21N9O5S/c1-4-13-39-26-22(40-20-8-6-5-7-19(20)38-3)25(33-41(36,37)21-10-9-16(2)15-28-21)29-23(30-26)17-11-12-27-18(14-17)24-31-34-35-32-24/h1,5-12,14-15H,13H2,2-3H3,(H,29,30,33)(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124498 (CHEMBL368386 | Pyridin-2-yl-carbamic acid 4-[6-(5-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)-c1ccncc1 Show InChI InChI=1S/C34H31N7O7S/c1-23(2)25-13-14-29(37-22-25)49(43,44)41-32-30(48-27-11-5-4-10-26(27)45-3)33(40-31(39-32)24-15-18-35-19-16-24)46-20-8-9-21-47-34(42)38-28-12-6-7-17-36-28/h4-7,10-19,22-23H,20-21H2,1-3H3,(H,36,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124481 (5-Methyl-pyridine-2-sulfonic acid [2-(2-hydroxymet...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C26H23N5O6S/c1-4-13-36-26-23(37-21-8-6-5-7-20(21)35-3)25(31-38(33,34)22-10-9-17(2)15-28-22)29-24(30-26)18-11-12-27-19(14-18)16-32/h1,5-12,14-15,32H,13,16H2,2-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124507 (5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=S)o[nH]1 Show InChI InChI=1S/C27H21N7O6S2/c1-4-13-38-26-22(39-20-8-6-5-7-19(20)37-3)25(34-42(35,36)21-10-9-16(2)15-29-21)30-23(31-26)17-11-12-28-18(14-17)24-32-27(41)40-33-24/h1,5-12,14-15H,13H2,2-3H3,(H,30,31,34)(H,32,33,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124495 (CHEMBL366885 | Pyridin-4-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1ccncc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-9-10-26(33-21-22)47(40,41)37-28-27(46-25-8-4-3-7-24(25)42-2)29(36-30(35-28)38-15-19-43-20-16-38)44-17-5-6-18-45-31(39)34-23-11-13-32-14-12-23/h3-4,7-14,21H,15-20H2,1-2H3,(H,32,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124462 (4-tert-Butyl-N-[6-(4-methoxy-but-2-ynyloxy)-5-(2-m...) Show SMILES COCC#CCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1 Show InChI InChI=1S/C30H31N5O6S/c1-30(2,3)21-13-15-22(16-14-21)42(36,37)35-26-25(41-24-12-7-6-11-23(24)39-5)29(40-20-9-8-19-38-4)34-28(33-26)27-31-17-10-18-32-27/h6-7,10-18H,19-20H2,1-5H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124470 (CHEMBL264035 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C34H36N6O8S/c1-24(2)25-15-16-29(35-23-25)49(42,43)39-31-30(48-28-14-8-7-13-27(28)44-3)32(38-33(37-31)40-17-21-45-22-18-40)46-19-9-10-20-47-34(41)36-26-11-5-4-6-12-26/h4-8,11-16,23-24H,17-22H2,1-3H3,(H,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124496 (CHEMBL368996 | Pyrazin-2-yl-carbamic acid 4-[6-(5-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1 Show InChI InChI=1S/C32H34N8O8S/c1-22(2)23-10-11-27(35-20-23)49(42,43)39-29-28(48-25-9-5-4-8-24(25)44-3)30(38-31(37-29)40-14-18-45-19-15-40)46-16-6-7-17-47-32(41)36-26-21-33-12-13-34-26/h4-5,8-13,20-22H,14-19H2,1-3H3,(H,34,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124494 (5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C27H21N7O7S/c1-4-13-39-26-22(40-20-8-6-5-7-19(20)38-3)25(34-42(36,37)21-10-9-16(2)15-29-21)30-23(31-26)17-11-12-28-18(14-17)24-32-27(35)41-33-24/h1,5-12,14-15H,13H2,2-3H3,(H,30,31,34)(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124492 (CHEMBL275897 | Pyrazin-2-yl-carbamic acid 4-[6-(5-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1cnccn1)-c1ccncc1 Show InChI InChI=1S/C33H30N8O7S/c1-22(2)24-10-11-28(37-20-24)49(43,44)41-31-29(48-26-9-5-4-8-25(26)45-3)32(40-30(39-31)23-12-14-34-15-13-23)46-18-6-7-19-47-33(42)38-27-21-35-16-17-36-27/h4-5,8-17,20-22H,18-19H2,1-3H3,(H,36,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124504 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C27H31N5O7S/c1-19(2)20-10-11-23(28-18-20)40(34,35)31-25-24(39-22-9-5-4-8-21(22)36-3)26(38-15-7-6-14-33)30-27(29-25)32-12-16-37-17-13-32/h4-5,8-11,18-19,33H,12-17H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124463 (5-Methyl-pyridine-2-sulfonic acid [6-(4-hydroxy-bu...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C25H27N5O7S/c1-18-9-10-21(26-17-18)38(32,33)29-23-22(37-20-8-4-3-7-19(20)34-2)24(36-14-6-5-13-31)28-25(27-23)30-11-15-35-16-12-30/h3-4,7-10,17,31H,11-16H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124503 (CHEMBL163638 | Phenyl-carbamic acid 4-[5-(2-methox...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C32H32N6O8S/c1-23-14-15-27(33-22-23)47(40,41)37-29-28(46-26-13-7-6-12-25(26)42-2)30(36-31(35-29)38-16-20-43-21-17-38)44-18-8-9-19-45-32(39)34-24-10-4-3-5-11-24/h3-7,10-15,22H,16-21H2,1-2H3,(H,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124459 (Butyl-carbamic acid 4-[6-(5-isopropyl-pyridine-2-s...) Show SMILES CCCCNC(=O)OCC#CCOc1nc(nc(NS(=O)(=O)c2ccc(cn2)C(C)C)c1Oc1ccccc1OC)-c1ccncc1 Show InChI InChI=1S/C33H36N6O7S/c1-5-6-17-35-33(40)45-21-10-9-20-44-32-29(46-27-12-8-7-11-26(27)43-4)31(37-30(38-32)24-15-18-34-19-16-24)39-47(41,42)28-14-13-25(22-36-28)23(2)3/h7-8,11-16,18-19,22-23H,5-6,17,20-21H2,1-4H3,(H,35,40)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124456 (CHEMBL176741 | Pyridin-3-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cccnc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-11-12-26(33-20-22)47(40,41)37-28-27(46-25-10-4-3-9-24(25)42-2)29(36-30(35-28)38-14-18-43-19-15-38)44-16-5-6-17-45-31(39)34-23-8-7-13-32-21-23/h3-4,7-13,20-21H,14-19H2,1-2H3,(H,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124466 (5-Methyl-pyridine-2-sulfonic acid [6-(4-hydroxy-bu...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C26H23N5O6S/c1-18-9-10-22(28-17-18)38(33,34)31-25-23(37-21-8-4-3-7-20(21)35-2)26(36-16-6-5-15-32)30-24(29-25)19-11-13-27-14-12-19/h3-4,7-14,17,32H,15-16H2,1-2H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124486 (5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C29H25N7O7S/c1-5-14-41-28-24(42-22-9-7-6-8-21(22)40-4)27(36-44(38,39)23-11-10-19(16-31-23)17(2)3)32-25(33-28)18-12-13-30-20(15-18)26-34-29(37)43-35-26/h1,6-13,15-17H,14H2,2-4H3,(H,32,33,36)(H,34,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124476 (5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C28H25N9O5S/c1-5-14-41-28-24(42-22-9-7-6-8-21(22)40-4)27(35-43(38,39)23-11-10-19(16-30-23)17(2)3)31-25(32-28)18-12-13-29-20(15-18)26-33-36-37-34-26/h1,6-13,15-17H,14H2,2-4H3,(H,31,32,35)(H,33,34,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124493 (5-Isopropyl-pyridine-2-sulfonic acid [2-(2-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C28H27N5O6S/c1-5-14-38-28-25(39-23-9-7-6-8-22(23)37-4)27(31-26(32-28)19-12-13-29-21(15-19)17-34)33-40(35,36)24-11-10-20(16-30-24)18(2)3/h1,6-13,15-16,18,34H,14,17H2,2-4H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124483 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C28H27N5O6S/c1-19(2)21-10-11-24(30-18-21)40(35,36)33-27-25(39-23-9-5-4-8-22(23)37-3)28(38-17-7-6-16-34)32-26(31-27)20-12-14-29-15-13-20/h4-5,8-15,18-19,34H,16-17H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124482 (5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=S)o[nH]1 Show InChI InChI=1S/C29H25N7O6S2/c1-5-14-40-28-24(41-22-9-7-6-8-21(22)39-4)27(36-44(37,38)23-11-10-19(16-31-23)17(2)3)32-25(33-28)18-12-13-30-20(15-18)26-34-29(43)42-35-26/h1,6-13,15-17H,14H2,2-4H3,(H,32,33,36)(H,34,35,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124470 (CHEMBL264035 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C34H36N6O8S/c1-24(2)25-15-16-29(35-23-25)49(42,43)39-31-30(48-28-14-8-7-13-27(28)44-3)32(38-33(37-31)40-17-21-45-22-18-40)46-19-9-10-20-47-34(41)36-26-11-5-4-6-12-26/h4-8,11-16,23-24H,17-22H2,1-3H3,(H,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124485 (CHEMBL367036 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H32N6O7S/c1-24(2)26-15-16-30(37-23-26)49(43,44)41-33-31(48-29-14-8-7-13-28(29)45-3)34(40-32(39-33)25-17-19-36-20-18-25)46-21-9-10-22-47-35(42)38-27-11-5-4-6-12-27/h4-8,11-20,23-24H,21-22H2,1-3H3,(H,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124485 (CHEMBL367036 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H32N6O7S/c1-24(2)26-15-16-30(37-23-26)49(43,44)41-33-31(48-29-14-8-7-13-28(29)45-3)34(40-32(39-33)25-17-19-36-20-18-25)46-21-9-10-22-47-35(42)38-27-11-5-4-6-12-27/h4-8,11-20,23-24H,21-22H2,1-3H3,(H,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124473 (4-tert-Butyl-N-[2-(2-hydroxymethyl-pyridin-4-yl)-5...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C30H30N4O6S/c1-6-17-39-29-26(40-25-10-8-7-9-24(25)38-5)28(32-27(33-29)20-15-16-31-22(18-20)19-35)34-41(36,37)23-13-11-21(12-14-23)30(2,3)4/h1,7-16,18,35H,17,19H2,2-5H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124474 (CHEMBL94786 | Pyridin-2-yl-carbamic acid 4-[6-(5-i...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C33H35N7O8S/c1-23(2)24-13-14-28(35-22-24)49(42,43)39-30-29(48-26-11-5-4-10-25(26)44-3)31(38-32(37-30)40-16-20-45-21-17-40)46-18-8-9-19-47-33(41)36-27-12-6-7-15-34-27/h4-7,10-15,22-23H,16-21H2,1-3H3,(H,34,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124461 (4-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C30H30N4O6S/c1-30(2,3)22-11-13-23(14-12-22)41(36,37)34-28-26(40-25-10-6-5-9-24(25)38-4)29(39-20-8-7-19-35)33-27(32-28)21-15-17-31-18-16-21/h5-6,9-18,35H,19-20H2,1-4H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124504 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C27H31N5O7S/c1-19(2)20-10-11-23(28-18-20)40(34,35)31-25-24(39-22-9-5-4-8-21(22)36-3)26(38-15-7-6-14-33)30-27(29-25)32-12-16-37-17-13-32/h4-5,8-11,18-19,33H,12-17H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124480 (4-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C29H34N4O7S/c1-29(2,3)21-11-13-22(14-12-21)41(35,36)32-26-25(40-24-10-6-5-9-23(24)37-4)27(39-18-8-7-17-34)31-28(30-26)33-15-19-38-20-16-33/h5-6,9-14,34H,15-20H2,1-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124471 (4-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CCO)-c1ncccn1 Show InChI InChI=1S/C29H29N5O6S/c1-29(2,3)20-12-14-21(15-13-20)41(36,37)34-25-24(40-23-11-6-5-10-22(23)38-4)28(39-19-8-7-18-35)33-27(32-25)26-30-16-9-17-31-26/h5-6,9-17,35H,18-19H2,1-4H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124457 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)-c1ncccn1 Show InChI InChI=1S/C27H26N6O6S/c1-18(2)19-11-12-22(30-17-19)40(35,36)33-24-23(39-21-10-5-4-9-20(21)37-3)27(38-16-7-6-15-34)32-26(31-24)25-28-13-8-14-29-25/h4-5,8-14,17-18,34H,15-16H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124488 (4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-pent-2-yny...) Show SMILES CCC#CCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1 Show InChI InChI=1S/C30H31N5O5S/c1-6-7-10-20-39-29-25(40-24-13-9-8-12-23(24)38-5)26(33-28(34-29)27-31-18-11-19-32-27)35-41(36,37)22-16-14-21(15-17-22)30(2,3)4/h8-9,11-19H,6,20H2,1-5H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124454 (4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-[2-(5-oxo-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C31H28N6O7S/c1-6-17-42-29-25(43-24-10-8-7-9-23(24)41-5)28(37-45(39,40)21-13-11-20(12-14-21)31(2,3)4)33-26(34-29)19-15-16-32-22(18-19)27-35-30(38)44-36-27/h1,7-16,18H,17H2,2-5H3,(H,33,34,37)(H,35,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124483 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C28H27N5O6S/c1-19(2)21-10-11-24(30-18-21)40(35,36)33-27-25(39-23-9-5-4-8-22(23)37-3)28(38-17-7-6-16-34)32-26(31-27)20-12-14-29-15-13-20/h4-5,8-15,18-19,34H,16-17H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124506 (4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-6-prop-2-yny...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=S)o[nH]1 Show InChI InChI=1S/C31H28N6O6S2/c1-6-17-41-29-25(42-24-10-8-7-9-23(24)40-5)28(37-45(38,39)21-13-11-20(12-14-21)31(2,3)4)33-26(34-29)19-15-16-32-22(18-19)27-35-30(44)43-36-27/h1,7-16,18H,17H2,2-5H3,(H,33,34,37)(H,35,36,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124502 (4-tert-Butyl-N-[6-but-2-ynyloxy-5-(2-methoxy-pheno...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CC)-c1ncccn1 Show InChI InChI=1S/C29H29N5O5S/c1-6-7-19-38-28-24(39-23-12-9-8-11-22(23)37-5)25(32-27(33-28)26-30-17-10-18-31-26)34-40(35,36)21-15-13-20(14-16-21)29(2,3)4/h8-18H,19H2,1-5H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124468 (5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccncc1 Show InChI InChI=1S/C25H21N5O5S/c1-4-15-34-25-22(35-20-8-6-5-7-19(20)33-3)24(28-23(29-25)18-11-13-26-14-12-18)30-36(31,32)21-10-9-17(2)16-27-21/h1,5-14,16H,15H2,2-3H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124505 (5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ncccn1 Show InChI InChI=1S/C26H24N6O5S/c1-5-15-36-26-22(37-20-10-7-6-9-19(20)35-4)23(30-25(31-26)24-27-13-8-14-28-24)32-38(33,34)21-12-11-18(16-29-21)17(2)3/h1,6-14,16-17H,15H2,2-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124497 (4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-prop-2-yny...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ncccn1 Show InChI InChI=1S/C28H27N5O5S/c1-6-18-37-27-23(38-22-11-8-7-10-21(22)36-5)24(31-26(32-27)25-29-16-9-17-30-25)33-39(34,35)20-14-12-19(13-15-20)28(2,3)4/h1,7-17H,18H2,2-5H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124473 (4-tert-Butyl-N-[2-(2-hydroxymethyl-pyridin-4-yl)-5...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C30H30N4O6S/c1-6-17-39-29-26(40-25-10-8-7-9-24(25)38-5)28(32-27(33-29)20-15-16-31-22(18-20)19-35)34-41(36,37)23-13-11-21(12-14-23)30(2,3)4/h1,7-16,18,35H,17,19H2,2-5H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124475 (5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)N1CCOCC1 Show InChI InChI=1S/C26H29N5O6S/c1-5-14-36-25-23(37-21-9-7-6-8-20(21)34-4)24(28-26(29-25)31-12-15-35-16-13-31)30-38(32,33)22-11-10-19(17-27-22)18(2)3/h1,6-11,17-18H,12-16H2,2-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50124498 (CHEMBL368386 | Pyridin-2-yl-carbamic acid 4-[6-(5-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)-c1ccncc1 Show InChI InChI=1S/C34H31N7O7S/c1-23(2)25-13-14-29(37-22-25)49(43,44)41-32-30(48-27-11-5-4-10-26(27)45-3)33(40-31(39-32)24-15-18-35-19-16-24)46-20-8-9-21-47-34(42)38-28-12-6-7-17-36-28/h4-7,10-19,22-23H,20-21H2,1-3H3,(H,36,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124461 (4-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C30H30N4O6S/c1-30(2,3)22-11-13-23(14-12-22)41(36,37)34-28-26(40-25-10-6-5-9-24(25)38-4)29(39-20-8-7-19-35)33-27(32-28)21-15-17-31-18-16-21/h5-6,9-18,35H,19-20H2,1-4H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124464 (5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccncc1 Show InChI InChI=1S/C27H25N5O5S/c1-5-16-36-27-24(37-22-9-7-6-8-21(22)35-4)26(30-25(31-27)19-12-14-28-15-13-19)32-38(33,34)23-11-10-20(17-29-23)18(2)3/h1,6-15,17-18H,16H2,2-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124460 (4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-(4-phenoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CCOc1ccccc1)-c1ncccn1 Show InChI InChI=1S/C35H33N5O6S/c1-35(2,3)25-17-19-27(20-18-25)47(41,42)40-31-30(46-29-16-9-8-15-28(29)43-4)34(39-33(38-31)32-36-21-12-22-37-32)45-24-11-10-23-44-26-13-6-5-7-14-26/h5-9,12-22H,23-24H2,1-4H3,(H,38,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair

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