BDBM50022633 CHEMBL3142281::CHEMBL75568::[1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-carbamic acid ethyl ester

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

InChI Key: InChIKey=WFUFILWJHBEQLW-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 = 50022633   

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))	BDBM50022633 (CHEMBL3142281 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...) Show SMILES CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C33H55N3O7/c1-7-43-33(41)36-28(20-24-13-15-25(42-6)16-14-24)32(40)35-27(17-21(2)3)31(39)34-26(19-23-11-9-8-10-12-23)30(38)29(37)18-22(4)5/h13-16,21-23,26-30,37-38H,7-12,17-20H2,1-6H3,(H,34,39)(H,35,40)(H,36,41)/t26-,27?,28?,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	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