BDBM50295338 CHEMBL4167466

SMILES CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)[C@@H](C)OC(C)(C)C

InChI Key InChIKey=CTUBNTAXILQBGR-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50295338   

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

Curated by ChEMBL
LigandPNGBDBM50295338(CHEMBL4167466)
Affinity DataKd:  55nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295338(CHEMBL4167466)
Affinity DataKd:  4.90E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295338(CHEMBL4167466)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using 2-trans-dodecenoyl-CoA as substrate in presence of NADH after 1 hr by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)