BDBM50022616 CHEMBL3348555::CHEMBL405701::[1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-(4H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-carbamic acid ethyl ester

SMILES: CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=WCLMPLYVIIQBDV-BIAIOAHNSA-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 = 50022616   

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))	BDBM50022616 (CHEMBL3348555 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...) Show SMILES CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C33H51N5O7/c1-5-45-33(43)38-27(17-23-11-13-25(44-4)14-12-23)31(41)37-28(18-24-19-34-20-35-24)32(42)36-26(16-22-9-7-6-8-10-22)30(40)29(39)15-21(2)3/h11-14,19-22,26-30,39-40H,5-10,15-18H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t26-,27?,28?,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity was tested against purified human renal renin				J Med Chem 31: 2264-76 (1989) BindingDB Entry DOI: 10.7270/Q2T72GDD
					More data for this Ligand-Target Pair