Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50146651'   

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))	BDBM50146651 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-2-oxo-1-...) Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(CCc3ccccc3)c3ccccc23)c2ccccc2)n1 Show InChI InChI=1S/C31H30N4O4/c1-21-19-22(2)34-30(33-21)39-28(29(37)38)31(24-13-7-4-8-14-24)25-15-9-10-16-26(25)35(27(36)20-32-31)18-17-23-11-5-3-6-12-23/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,37,38)/t28-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...				J Med Chem 47: 2776-95 (2004) Article DOI: 10.1021/jm031115r BindingDB Entry DOI: 10.7270/Q2Z89BVT
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