BDBM50633225 CHEMBL1198279

SMILES CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(cc3)N3CCCCC3)c2c1

InChI Key InChIKey=ZOTVYWANHLMHHN-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 50633225   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50633225(CHEMBL1198279)
Affinity DataKi:  6.30E+3nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis InhA using varying concentrations of DD-CoA as substrate assessed as inhibition constant for enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50633225(CHEMBL1198279)
Affinity DataKi:  8.00E+3nMAssay Description:Noncompetitive inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrate assessed as inhibition constant for enzyme-inhibitor binary co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50633225(CHEMBL1198279)
Affinity DataKi:  8.00E+3nMAssay Description:Noncompetitive inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrate assessed as inhibition constant for enzyme-substrate-inhibitor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50633225(CHEMBL1198279)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA-catalysed chemical reaction in presence of NADH measured for 1 min by UV/Visible spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed