BDBM50280494 CHEMBL545117::N-[(S)-1-[(R)-1-((S)-4-Amino-1-cyclohexylmethyl-3,3-difluoro-2-oxo-butylcarbamoyl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-3-methyl-butyramide; hydrochloride

SMILES: COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1

InChI Key: InChIKey=SUDWKZKPTSHHRS-YGOYIFOWSA-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 = 50280494   

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))	BDBM50280494 (CHEMBL545117 | N-[(S)-1-[(R)-1-((S)-4-Amino-1-cycl...) Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1 |r| Show InChI InChI=1S/C29H44F2N4O5/c1-18(2)14-25(36)34-24(16-21-10-12-22(40-4)13-11-21)28(39)33-19(3)27(38)35-23(26(37)29(30,31)17-32)15-20-8-6-5-7-9-20/h10-13,18-20,23-24H,5-9,14-17,32H2,1-4H3,(H,33,39)(H,34,36)(H,35,38)/t19-,23+,24+/m1/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	2.70E+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