BDBM231620 CG400549::US10071965, Compound CG400549

SMILES Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3

InChI Key InChIKey=YCLREGRRHGLOAK-UHFFFAOYSA-N

Data  6 KI

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 231620   

TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain NCTC 8325 / PS 47))
University of Wuerzburg

LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  1.30nMpH: 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
In Depth
Date in BDB:
6/6/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  1.30nM ΔG°:  -12.1kcal/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
In Depth
Date in BDB:
12/21/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  4.70nMpH: 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
In Depth
Date in BDB:
12/21/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
University of Wuerzburg

LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  81.9nMpH: 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
In Depth
Date in BDB:
6/6/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  81.9nM ΔG°:  -9.66kcal/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
In Depth
Date in BDB:
12/21/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM231620(CG400549 | US10071965, Compound CG400549)
Affinity DataKi:  99.4nMpH: 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
In Depth
Date in BDB:
12/21/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)