BDBM19816 (2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-(4-oxooxan-3-yl)pentanamide::3-amidotetrahydropyran-4-one, 40

SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCCC1=O

InChI Key InChIKey=NMNAOJJBVJBYML-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19816   

TargetCathepsin K(Human)
Gsk

LigandPNGBDBM19816((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...)
Affinity DataKi:  560nM ΔG°:  -8.44kcal/molepH: 5.5 T: 2°CAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed