BDBM50154184 CHEMBL188106::[1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-[3-(1-methyl-1H-imidazol-2-ylsulfanyl)-propyl]-cyclobutylmethyl ester

SMILES: CCCC[C@H](NC(=O)OCC1(CCCSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=WUDSSAUYTSZWEU-GGAORHGYSA-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 = 50154184   

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))	BDBM50154184 (CHEMBL188106 | [1-(1-Phenyl-ethylaminooxalyl)-pent...) Show SMILES CCCC[C@H](NC(=O)OCC1(CCCSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H40N4O4S/c1-4-5-13-23(24(33)25(34)30-21(2)22-11-7-6-8-12-22)31-27(35)36-20-28(14-9-15-28)16-10-19-37-26-29-17-18-32(26)3/h6-8,11-12,17-18,21,23H,4-5,9-10,13-16,19-20H2,1-3H3,(H,30,34)(H,31,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory potency against human Cathepsin K				J Med Chem 47: 5057-68 (2004) Article DOI: 10.1021/jm040107n BindingDB Entry DOI: 10.7270/Q23T9GP0
					More data for this Ligand-Target Pair