BDBM50046786 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-4-(4-methyl-piperazin-1-yl)-4-oxo-butyramide::CHEMBL139813

SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1

InChI Key: InChIKey=WJQFHRUDUDEEDW-YVNNRUMDSA-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 = 50046786   

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))	BDBM50046786 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1 Show InChI InChI=1S/C36H56N6O5/c1-25(2)18-32(43)34(45)30(20-27-12-8-5-9-13-27)39-36(47)31(22-29-23-37-24-38-29)40-35(46)28(19-26-10-6-4-7-11-26)21-33(44)42-16-14-41(3)15-17-42/h4,6-7,10-11,23-25,27-28,30-32,34,43,45H,5,8-9,12-22H2,1-3H3,(H,37,38)(H,39,47)(H,40,46)/t28-,30+,31+,32+,34-/m1/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	5.40	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 7.4				J Med Chem 36: 449-59 (1993) BindingDB Entry DOI: 10.7270/Q20K27M6
					More data for this Ligand-Target Pair