Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50034254'   

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))	BDBM50034254 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 |t:7| Show InChI InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	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))	BDBM50034254 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 |t:7| Show InChI InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	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))	BDBM50034254 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 |t:7| Show InChI InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	960	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