BDBM50139481 (R)-2,2-dimethyl-6-phenylhexan-3-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate::CHEMBL163286::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-1-tert-butyl-4-phenyl-butyl ester

SMILES: CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=MXQQIWVURNRGKR-ZSQFBXSQSA-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 = 50139481   

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))	BDBM50139481 ((R)-2,2-dimethyl-6-phenylhexan-3-yl(S)-1,2-dioxo-1...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H42N2O4/c1-6-7-20-25(27(33)28(34)31-22(2)24-18-12-9-13-19-24)32-29(35)36-26(30(3,4)5)21-14-17-23-15-10-8-11-16-23/h8-13,15-16,18-19,22,25-26H,6-7,14,17,20-21H2,1-5H3,(H,31,34)(H,32,35)/t22-,25+,26-/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	0.794	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))	BDBM50139481 ((R)-2,2-dimethyl-6-phenylhexan-3-yl(S)-1,2-dioxo-1...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H42N2O4/c1-6-7-20-25(27(33)28(34)31-22(2)24-18-12-9-13-19-24)32-29(35)36-26(30(3,4)5)21-14-17-23-15-10-8-11-16-23/h8-13,15-16,18-19,22,25-26H,6-7,14,17,20-21H2,1-5H3,(H,31,34)(H,32,35)/t22-,25+,26-/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	0.790	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