Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50057211'   

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))	BDBM50057211 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc2ccccc2c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C29H22O6/c1-32-23-11-9-22(10-12-23)29(31)24(15-18-6-7-19-4-2-3-5-20(19)14-18)27(28(30)35-29)21-8-13-25-26(16-21)34-17-33-25/h2-14,16,31H,15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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
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