BDBM50139488 CHEMBL165345::{(S)-1-[Methyl-((R)-1-phenyl-ethyl)-aminooxalyl]-pentyl}-carbamic acid tert-butyl ester

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1

InChI Key: InChIKey=PEMFBGKEQIBRQV-WBVHZDCISA-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 = 50139488   

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 K (Homo sapiens (Human))	BDBM50139488 (CHEMBL165345 | {(S)-1-[Methyl-((R)-1-phenyl-ethyl)...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1 Show InChI InChI=1S/C21H32N2O4/c1-7-8-14-17(22-20(26)27-21(3,4)5)18(24)19(25)23(6)15(2)16-12-10-9-11-13-16/h9-13,15,17H,7-8,14H2,1-6H3,(H,22,26)/t15-,17+/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair