Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50011525   

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 (Sus scrofa)	BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107562 (CHEMBL168119 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCC(O)CC1 Show InChI InChI=1S/C32H37BrN6O7S/c1-32(2,3)21-9-11-24(12-10-21)47(41,42)38-28-27(46-26-8-6-5-7-25(26)43-4)29(37-30(36-28)39-15-13-23(40)14-16-39)44-17-18-45-31-34-19-22(33)20-35-31/h5-12,19-20,23,40H,13-18H2,1-4H3,(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105048 (CHEMBL112144 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00390	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107561 (CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00530	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107567 (CHEMBL170908 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 Show InChI InChI=1S/C30H34BrN5O6S/c1-6-9-25-34-27(36-43(37,38)22-14-12-20(13-15-22)30(2,3)4)26(42-24-11-8-7-10-23(24)39-5)28(35-25)40-16-17-41-29-32-18-21(31)19-33-29/h7-8,10-15,18-19H,6,9,16-17H2,1-5H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107556 (CHEMBL170493 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)-c1ccccn1 Show InChI InChI=1S/C32H31BrN6O4S/c1-21-8-10-22(11-9-21)27-29(39-44(40,41)25-14-12-23(13-15-25)32(2,3)4)37-28(26-7-5-6-16-34-26)38-30(27)42-17-18-43-31-35-19-24(33)20-36-31/h5-16,19-20H,17-18H2,1-4H3,(H,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104992 (CHEMBL114700 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(Br)cn2)c1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107558 (CHEMBL167314 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(SCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C29H32BrN5O7S2/c1-29(2,3)19-9-11-21(12-10-19)44(37,38)35-25-24(42-23-8-6-5-7-22(23)39-4)26(34-28(33-25)43-16-13-36)40-14-15-41-27-31-17-20(30)18-32-27/h5-12,17-18,36H,13-16H2,1-4H3,(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107568 (CHEMBL168604 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(OCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C29H32BrN5O8S/c1-29(2,3)19-9-11-21(12-10-19)44(37,38)35-25-24(43-23-8-6-5-7-22(23)39-4)26(34-28(33-25)41-14-13-36)40-15-16-42-27-31-17-20(30)18-32-27/h5-12,17-18,36H,13-16H2,1-4H3,(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107560 (CHEMBL354528 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCN(C)CC1 Show InChI InChI=1S/C32H38BrN7O6S/c1-32(2,3)22-10-12-24(13-11-22)47(41,42)38-28-27(46-26-9-7-6-8-25(26)43-5)29(37-30(36-28)40-16-14-39(4)15-17-40)44-18-19-45-31-34-20-23(33)21-35-31/h6-13,20-21H,14-19H2,1-5H3,(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50107562 (CHEMBL168119 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCC(O)CC1 Show InChI InChI=1S/C32H37BrN6O7S/c1-32(2,3)21-9-11-24(12-10-21)47(41,42)38-28-27(46-26-8-6-5-7-25(26)43-4)29(37-30(36-28)39-15-13-23(40)14-16-39)44-17-18-45-31-34-19-22(33)20-35-31/h5-12,19-20,23,40H,13-18H2,1-4H3,(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50105048 (CHEMBL112144 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50107561 (CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107554 (CHEMBL424358 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CC(C)c1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(c(OCCOc2ncc(Br)cn2)n1)-c1ccc(C)cc1 Show InChI InChI=1S/C30H34BrN5O4S/c1-19(2)26-34-27(36-41(37,38)24-13-11-22(12-14-24)30(4,5)6)25(21-9-7-20(3)8-10-21)28(35-26)39-15-16-40-29-32-17-23(31)18-33-29/h7-14,17-19H,15-16H2,1-6H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107559 (CHEMBL168904 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(c(OCCOc2ncc(Br)cn2)n1)-c1ccc(C)cc1 Show InChI InChI=1S/C30H34BrN5O4S/c1-6-7-25-34-27(36-41(37,38)24-14-12-22(13-15-24)30(3,4)5)26(21-10-8-20(2)9-11-21)28(35-25)39-16-17-40-29-32-18-23(31)19-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107565 (CHEMBL166875 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C28H30BrN5O6S/c1-18-32-25(34-41(35,36)21-12-10-19(11-13-21)28(2,3)4)24(40-23-9-7-6-8-22(23)37-5)26(33-18)38-14-15-39-27-30-16-20(29)17-31-27/h6-13,16-17H,14-15H2,1-5H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107553 (CHEMBL136871 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)-c1cccs1 Show InChI InChI=1S/C31H30BrN5O4S2/c1-20-7-9-21(10-8-20)26-28(37-43(38,39)24-13-11-22(12-14-24)31(2,3)4)35-27(25-6-5-17-42-25)36-29(26)40-15-16-41-30-33-18-23(32)19-34-30/h5-14,17-19H,15-16H2,1-4H3,(H,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107569 (CHEMBL166490 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)C(F)(F)F Show InChI InChI=1S/C28H27BrF3N5O6S/c1-27(2,3)17-9-11-19(12-10-17)44(38,39)37-23-22(43-21-8-6-5-7-20(21)40-4)24(36-25(35-23)28(30,31)32)41-13-14-42-26-33-15-18(29)16-34-26/h5-12,15-16H,13-14H2,1-4H3,(H,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107557 (CHEMBL352479 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 Show InChI InChI=1S/C28H30BrN5O7S/c1-28(2,3)18-10-12-20(13-11-18)42(35,36)34-24-23(41-22-9-7-6-8-21(22)37-4)25(33-27(32-24)38-5)39-14-15-40-26-30-16-19(29)17-31-26/h6-13,16-17H,14-15H2,1-5H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107564 (CHEMBL352355 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)-c1ccccc1 Show InChI InChI=1S/C33H32BrN5O4S/c1-22-10-12-23(13-11-22)28-30(39-44(40,41)27-16-14-25(15-17-27)33(2,3)4)37-29(24-8-6-5-7-9-24)38-31(28)42-18-19-43-32-35-20-26(34)21-36-32/h5-17,20-21H,18-19H2,1-4H3,(H,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107566 (CHEMBL354942 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C30H35BrN6O7S/c1-30(2,3)20-10-12-22(13-11-20)45(39,40)37-26-25(44-24-9-6-5-8-23(24)41-4)27(36-28(35-26)32-14-7-15-38)42-16-17-43-29-33-18-21(31)19-34-29/h5-6,8-13,18-19,38H,7,14-17H2,1-4H3,(H2,32,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107552 (CHEMBL169667 | N-[2-Amino-6-[2-(5-bromo-pyrimidin-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(N)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H29BrN6O6S/c1-27(2,3)17-9-11-19(12-10-17)41(35,36)34-23-22(40-21-8-6-5-7-20(21)37-4)24(33-25(29)32-23)38-13-14-39-26-30-15-18(28)16-31-26/h5-12,15-16H,13-14H2,1-4H3,(H3,29,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107570 (CHEMBL169872 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N(C)CCO Show InChI InChI=1S/C30H35BrN6O7S/c1-30(2,3)20-10-12-22(13-11-20)45(39,40)36-26-25(44-24-9-7-6-8-23(24)41-5)27(35-28(34-26)37(4)14-15-38)42-16-17-43-29-32-18-21(31)19-33-29/h6-13,18-19,38H,14-17H2,1-5H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107563 (3-[4-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-6-(4-t...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(SCCC(O)=O)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C30H32BrN5O8S2/c1-30(2,3)19-9-11-21(12-10-19)46(39,40)36-26-25(44-23-8-6-5-7-22(23)41-4)27(35-29(34-26)45-16-13-24(37)38)42-14-15-43-28-32-17-20(31)18-33-28/h5-12,17-18H,13-16H2,1-4H3,(H,37,38)(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107555 (CHEMBL170663 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CNCCNc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 Show InChI InChI=1S/C30H36BrN7O6S/c1-30(2,3)20-10-12-22(13-11-20)45(39,40)38-26-25(44-24-9-7-6-8-23(24)41-5)27(37-28(36-26)33-15-14-32-4)42-16-17-43-29-34-18-21(31)19-35-29/h6-13,18-19,32H,14-17H2,1-5H3,(H2,33,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair