BDBM50280492 (S)-2-{[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyrylamino)-propionyl]-methyl-amino}-pentanoic acid ((S)-4-amino-1-cyclohexylmethyl-3,3-difluoro-2-oxo-butyl)-amide; hydrochloride::CHEMBL545115

SMILES: CCC[C@H](N(C)C(=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=YKTLVHADOSXGLD-QKDODKLFSA-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 = 50280492   

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))	BDBM50280492 ((S)-2-{[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyr...) Show SMILES CCC[C@H](N(C)C(=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/C32H50F2N4O5/c1-6-10-27(30(41)37-25(29(40)32(33,34)20-35)18-22-11-8-7-9-12-22)38(4)31(42)26(36-28(39)17-21(2)3)19-23-13-15-24(43-5)16-14-23/h13-16,21-22,25-27H,6-12,17-20,35H2,1-5H3,(H,36,39)(H,37,41)/t25-,26-,27-/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	4.00E+4	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