BDBM50280490 (S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyrylamino)-propionylamino]-pentanoic acid ((S)-4-amino-1-cyclohexylmethyl-3,3-difluoro-2-hydroxy-butyl)-amide; hydrochloride::CHEMBL545343

SMILES: CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)CN

InChI Key: InChIKey=GKNJKOUZVBSATI-HVUBRIRVSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50280490   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50280490 ((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)CN |r| Show InChI InChI=1S/C31H50F2N4O5/c1-5-9-24(29(40)37-25(28(39)31(32,33)19-34)17-21-10-7-6-8-11-21)36-30(41)26(35-27(38)16-20(2)3)18-22-12-14-23(42-4)15-13-22/h12-15,20-21,24-26,28,39H,5-11,16-19,34H2,1-4H3,(H,35,38)(H,36,41)(H,37,40)/t24-,25-,26-,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit human plasma renin by 50% using radio-immunoassay was determined				Bioorg Med Chem Lett 2: 651-654 (1992) Article DOI: 10.1016/S0960-894X(00)80383-2 BindingDB Entry DOI: 10.7270/Q2KP822J
					More data for this Ligand-Target Pair