Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50077932'   

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))	BDBM50077932 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-[4-methoxy-3,5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OCCN2CCOCC2)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C38H44N2O11/c1-43-29-6-4-28(5-7-29)38(42)30(35(37(41)51-38)27-3-8-31-32(24-27)50-25-49-31)21-26-22-33(47-19-13-39-9-15-45-16-10-39)36(44-2)34(23-26)48-20-14-40-11-17-46-18-12-40/h3-8,22-24,42H,9-21,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
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