BDBM50023109 5-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-6-cyclohexyl-4-hydroxy-2-methylene-hexanoic acid (3-methyl-butyl)-amide::CHEMBL3144507::CHEMBL61639

SMILES: CC(C)CCNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key: InChIKey=JNEQDLOAUYUGFG-YQIWKCOVSA-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 = 50023109   

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))	BDBM50023109 (5-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-(1H...) Show SMILES CC(C)CCNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C35H52N6O5/c1-23(2)15-16-37-33(44)24(3)17-32(43)29(18-26-11-7-5-8-12-26)40-35(46)31(20-28-21-36-22-38-28)41-34(45)30(39-25(4)42)19-27-13-9-6-10-14-27/h6,9-10,13-14,21-23,26,29-32,43H,3,5,7-8,11-12,15-20H2,1-2,4H3,(H,36,38)(H,37,44)(H,39,42)(H,40,46)(H,41,45)/t29-,30?,31?,32-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 30: 1978-83 (1987) BindingDB Entry DOI: 10.7270/Q27943N5
					More data for this Ligand-Target Pair