Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50119669'   

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))	BDBM50119669 (5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2-met...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(C)nc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C24H21NO5/c1-13-3-9-17-20(15-6-10-18-19(11-15)30-12-29-18)22(24(26)27)21(23(17)25-13)14-4-7-16(28-2)8-5-14/h3-11,20-22H,12H2,1-2H3,(H,26,27)/t20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor				Bioorg Med Chem Lett 12: 3041-5 (2002) BindingDB Entry DOI: 10.7270/Q2KK9B3N
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