Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 272.3 BDBM50139479

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50139479 (((S)-1-Methylaminooxalyl-pentyl)-carbamic acid ter...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NC Show InChI InChI=1S/C13H24N2O4/c1-6-7-8-9(10(16)11(17)14-5)15-12(18)19-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,17)(H,15,18)/t9-/m0/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	2.09E+4	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))	BDBM50139479 (((S)-1-Methylaminooxalyl-pentyl)-carbamic acid ter...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NC Show InChI InChI=1S/C13H24N2O4/c1-6-7-8-9(10(16)11(17)14-5)15-12(18)19-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,17)(H,15,18)/t9-/m0/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	2.10E+4	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