BDBM50295333 CHEMBL3742313

SMILES c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O

InChI Key InChIKey=UVVRYOIOMHFQGU-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295333   

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

Curated by ChEMBL
LigandPNGBDBM50295333(CHEMBL3742313)
Affinity DataKd:  560nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA in presence of TCEP and NADH by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295333(CHEMBL3742313)
Affinity DataIC50: 590nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)