BDBM50180418 CHEMBL378702::benzyl 2-(((S)-1-oxo-3-phenylpropan-2-yl)carbamoyl)-4-methylpentanoate

SMILES: CC(C)CC(C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)OCc1ccccc1

InChI Key: InChIKey=FQUZKOFMRJWANS-BGERDNNASA-N

Data: 1 KI

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 = 50180418   

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
Cathepsin B (Homo sapiens (Human))	BDBM50180418 (CHEMBL378702 | benzyl 2-(((S)-1-oxo-3-phenylpropan...) Show SMILES CC(C)CC(C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H27NO4/c1-17(2)13-21(23(27)28-16-19-11-7-4-8-12-19)22(26)24-20(15-25)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,26)/t20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of cathepsin B from human brain				Bioorg Med Chem Lett 16: 1965-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.068 BindingDB Entry DOI: 10.7270/Q22F7N1P
					More data for this Ligand-Target Pair