Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50079434'   

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))	BDBM50079434 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-bis-(4-ethy...) Show SMILES CCc1ccc(cc1)C(OCCc1ccc(OC)cc1)(C(Oc1nc(C)cc(C)n1)C(O)=O)c1ccc(CC)cc1 Show InChI InChI=1S/C34H38N2O5/c1-6-25-8-14-28(15-9-25)34(29-16-10-26(7-2)11-17-29,40-21-20-27-12-18-30(39-5)19-13-27)31(32(37)38)41-33-35-23(3)22-24(4)36-33/h8-19,22,31H,6-7,20-21H2,1-5H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells				J Med Chem 42: 3026-32 (1999) Article DOI: 10.1021/jm9910425 BindingDB Entry DOI: 10.7270/Q2HD7TV6
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