Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50050056'   

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))	BDBM50050056 (2-[(R)-1-[(S)-2-(3-Cyclohexyl-3-methyl-ureido)-4-m...) Show SMILES CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1 Show InChI InChI=1S/C30H42N6O4/c1-18(2)15-24(33-30(40)36(5)21-11-7-6-8-12-21)28(37)32-23(27-31-19(3)26(34-27)29(38)39)16-20-17-35(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,6-8,11-12,15-16H2,1-5H3,(H,31,34)(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against human Endothelin A receptor				J Med Chem 39: 982-91 (1996) Article DOI: 10.1021/jm9505932 BindingDB Entry DOI: 10.7270/Q2DB80WG
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