Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.5 BDBM50154182

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))	BDBM50154182 (CHEMBL188278 | [1-(1-Phenyl-ethylaminooxalyl)-pent...) Show SMILES CCCC[C@H](NC(=O)OCC1(COc2ncccn2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C26H34N4O5/c1-3-4-12-21(22(31)23(32)29-19(2)20-10-6-5-7-11-20)30-25(33)35-18-26(13-8-14-26)17-34-24-27-15-9-16-28-24/h5-7,9-11,15-16,19,21H,3-4,8,12-14,17-18H2,1-2H3,(H,29,32)(H,30,33)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	260	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