BDBM50180411 CHEMBL206243::benzyl 2-(((S)-1-oxo-3-phenylpropan-2-yl)carbamoyl)-3-methylbutanoate

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

InChI Key: InChIKey=NUSBJDDBONBCBS-XJDOXCRVSA-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 = 50180411   

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))	BDBM50180411 (CHEMBL206243 | benzyl 2-(((S)-1-oxo-3-phenylpropan...) Show SMILES CC(C)C(C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO4/c1-16(2)20(22(26)27-15-18-11-7-4-8-12-18)21(25)23-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,25)/t19-,20?/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	20	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