Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50057191'   

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))	BDBM50057191 (4-Benzyl-5-hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc2OCOc2c(OC)c1 |c:14| Show InChI InChI=1S/C26H22O7/c1-29-19-10-8-18(9-11-19)26(28)20(12-16-6-4-3-5-7-16)23(25(27)33-26)17-13-21(30-2)24-22(14-17)31-15-32-24/h3-11,13-14,28H,12,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	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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