BDBM50295334 CHEMBL4167661

SMILES CNC(=O)CN1CCN([C@@H](Cc2ccccc2)C1=O)C(=O)[C@@H]1CC[C@@H](CC1)NC(=O)Cc1sc2ccccc2c1C

InChI Key InChIKey=IYXYXQDRVMICOH-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50295334   

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

Curated by ChEMBL
LigandPNGBDBM50295334(CHEMBL4167661)
Affinity DataKd:  340nMAssay 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
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295334(CHEMBL4167661)
Affinity DataKd:  1.34E+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
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50295334(CHEMBL4167661)
Affinity DataIC50: 65nMAssay 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
PubMed