BDBM50016051 3-Hydroxy-6-methyl-4-{2-[2-(3-methyl-butyrylamino)-3-phenyl-propylsulfanyl]-acetylamino}-heptanoic acid (1-benzylcarbamoyl-3-methyl-butyl)-amide::CHEMBL354023

SMILES: CC(C)C[C@H](NC(=O)CSC[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=VEEQHWGKBJRMCG-KSTJSZMBSA-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 = 50016051   

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))	BDBM50016051 (3-Hydroxy-6-methyl-4-{2-[2-(3-methyl-butyrylamino)...) Show SMILES CC(C)C[C@H](NC(=O)CSC[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C37H56N4O5S/c1-25(2)17-31(33(42)21-35(44)41-32(18-26(3)4)37(46)38-22-29-15-11-8-12-16-29)40-36(45)24-47-23-30(39-34(43)19-27(5)6)20-28-13-9-7-10-14-28/h7-16,25-27,30-33,42H,17-24H2,1-6H3,(H,38,46)(H,39,43)(H,40,45)(H,41,44)/t30-,31-,32-,33?/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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 33: 838-45 (1990) BindingDB Entry DOI: 10.7270/Q2T152M6
					More data for this Ligand-Target Pair