Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.5 BDBM50139497

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))	BDBM50139497 (3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-((R)-1-pheny...) Show SMILES CCCC[C@H](NC(=O)OC(C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C22H34N2O4/c1-7-8-14-18(24-21(27)28-16(3)22(4,5)6)19(25)20(26)23-15(2)17-12-10-9-11-13-17/h9-13,15-16,18H,7-8,14H2,1-6H3,(H,23,26)(H,24,27)/t15-,16?,18+/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	19.9	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))	BDBM50139497 (3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-((R)-1-pheny...) Show SMILES CCCC[C@H](NC(=O)OC(C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C22H34N2O4/c1-7-8-14-18(24-21(27)28-16(3)22(4,5)6)19(25)20(26)23-15(2)17-12-10-9-11-13-17/h9-13,15-16,18H,7-8,14H2,1-6H3,(H,23,26)(H,24,27)/t15-,16?,18+/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	20	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