Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50034262'   

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))	BDBM50034262 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 |t:7| Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Antagonistic activity against human Endothelin A receptor expressed in LtK				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034262 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 |t:7| Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034262 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 |t:7| Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin A receptor in the rabbit renal artery vascular smooth muscle cells.				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair