BDBM50154196 CHEMBL188840::[1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-(2-chloro-pyrimidin-4-yloxymethyl)-cyclobutylmethyl ester

SMILES: CCCC[C@H](NC(=O)OCC1(COc2ccnc(Cl)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=XYVHJUXIUAARMN-QUCCMNQESA-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 = 50154196   

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))	BDBM50154196 (CHEMBL188840 | [1-(1-Phenyl-ethylaminooxalyl)-pent...) Show SMILES CCCC[C@H](NC(=O)OCC1(COc2ccnc(Cl)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C26H33ClN4O5/c1-3-4-11-20(22(32)23(33)29-18(2)19-9-6-5-7-10-19)30-25(34)36-17-26(13-8-14-26)16-35-21-12-15-28-24(27)31-21/h5-7,9-10,12,15,18,20H,3-4,8,11,13-14,16-17H2,1-2H3,(H,29,33)(H,30,34)/t18-,20+/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	85	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