BDBM50138859 CHEMBL157430::[(S)-3-Methyl-1-(thiophen-2-ylmethyl)-aminooxalyl]-butyl)-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CC(C)C[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1

InChI Key: InChIKey=UZJJBVNFVOFOGM-INIZCTEOSA-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 = 50138859   

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))	BDBM50138859 (CHEMBL157430 | [(S)-3-Methyl-1-(thiophen-2-ylmethy...) Show SMILES CC(C)C[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1 Show InChI InChI=1S/C20H32N2O4S/c1-12(2)10-16(22-20(25)26-18(13(3)4)14(5)6)17(23)19(24)21-11-15-8-7-9-27-15/h7-9,12-14,16,18H,10-11H2,1-6H3,(H,21,24)(H,22,25)/t16-/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	24	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair