BDBM50295338 CHEMBL4167466

SMILES C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)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 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
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 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
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 Depth
Date in BDB:
8/6/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)