BDBM50139483 CHEMBL163757::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-isobutyl-3-methyl-butyl ester

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

InChI Key: InChIKey=JLHJIXXQYOXDES-KNQAVFIVSA-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 = 50139483   

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))	BDBM50139483 (CHEMBL163757 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC(CC(C)C)CC(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C25H40N2O4/c1-7-8-14-22(27-25(30)31-21(15-17(2)3)16-18(4)5)23(28)24(29)26-19(6)20-12-10-9-11-13-20/h9-13,17-19,21-22H,7-8,14-16H2,1-6H3,(H,26,29)(H,27,30)/t19-,22+/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	69	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