BDBM50443007 CHEMBL1236225::PT70

SMILES CCCCCCc1ccc(Oc2ccccc2C)c(O)c1

InChI Key InChIKey=KSWHNTPMGZKIOB-UHFFFAOYSA-N

Data  5 KI  5 IC50

PDB links: 5 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50443007   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataKi:  0.0220nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataKi:  48nM ΔG°:  -9.98kcal/molepH: 8.0 T: 2°CAssay Description:Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataKi:  114nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA I215A mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as enzyme-inhibitor complex b...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataKi:  427nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA V203A mutant expressed in Escherichia coli BL21(DE3) pLysS cells using C8-CoA as substrate by UV-vis sp...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataKi:  913nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA V203A mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as enzyme-inhibitor complex b...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataIC50:  22nMAssay Description:Inhibition of wild type Mycobacterium tuberculosis inhAMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataIC50:  3.00E+3nMAssay Description:IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataIC50:  51nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataIC50:  50.7nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50443007(CHEMBL1236225 | PT70)
Affinity DataIC50: >1.00E+5nMAssay Description:IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed