BDBM275886 US10071965, Compound PT420

SMILES CCc1ccn(Cc2ccccc2C#N)c(=O)c1

InChI Key InChIKey=BUXQQYGXJPPCAU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 275886   

TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
The Research Foundation For The State University Of New York

US Patent
LigandPNGBDBM275886(US10071965, Compound PT420)
Affinity DataKi:  29.6nM ΔG°:  -10.3kcal/molepH: 7.5 T: 2°CAssay Description:10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
The Research Foundation For The State University Of New York

US Patent
LigandPNGBDBM275886(US10071965, Compound PT420)
Affinity DataKi:  110nMpH: 7.5Assay Description:Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20° C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent