BDBM50139487 CHEMBL163185::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 2,2-dimethyl-propyl ester::neopentyl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate

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

InChI Key: InChIKey=YLWXDDOAYCMENH-WBVHZDCISA-N

Data: 2 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 2 hits for monomerid = 50139487   

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))	BDBM50139487 (CHEMBL163185 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OCC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C21H32N2O4/c1-6-7-13-17(23-20(26)27-14-21(3,4)5)18(24)19(25)22-15(2)16-11-9-8-10-12-16/h8-12,15,17H,6-7,13-14H2,1-5H3,(H,22,25)(H,23,26)/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.9	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139487 (CHEMBL163185 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OCC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C21H32N2O4/c1-6-7-13-17(23-20(26)27-14-21(3,4)5)18(24)19(25)22-15(2)16-11-9-8-10-12-16/h8-12,15,17H,6-7,13-14H2,1-5H3,(H,22,25)(H,23,26)/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	34	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