Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50034261'   

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))	BDBM50034261 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034261 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	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))	BDBM50034261 (5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	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