Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50290985'   

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))	BDBM50290985 (((S)-1-Phenyl-ethyl)-carbamic acid 4-benzo[1,3]dio...) Show SMILES COc1ccc(cc1)C1(OC(=O)N[C@@H](C)c2ccccc2)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:26| Show InChI InChI=1S/C34H29NO7/c1-22(24-11-7-4-8-12-24)35-33(37)42-34(26-14-16-27(38-2)17-15-26)28(19-23-9-5-3-6-10-23)31(32(36)41-34)25-13-18-29-30(20-25)40-21-39-29/h3-18,20,22H,19,21H2,1-2H3,(H,35,37)/t22-,34?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human Endothelin A receptor expressed in LtK- cells				Bioorg Med Chem Lett 7: 297-302 (1997) Article DOI: 10.1016/S0960-894X(97)00002-4 BindingDB Entry DOI: 10.7270/Q2B8584G
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