BDBM50633249 CHEMBL5432105

SMILES CC1CCN(CC1)c1ccc(Nc2cc(C)nc3ccc(Br)cc23)cc1

InChI Key InChIKey=JJVRUMCQXVMCED-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 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 5 hits for monomerid = 50633249   

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

Curated by ChEMBL
LigandPNGBDBM50633249(CHEMBL5432105)
Affinity DataKi:  690nMAssay 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
LigandPNGBDBM50633249(CHEMBL5432105)
Affinity DataKi:  720nMAssay 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
LigandPNGBDBM50633249(CHEMBL5432105)
Affinity DataKi:  790nMAssay 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
LigandPNGBDBM50633249(CHEMBL5432105)
Affinity DataKd:  1.25E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 25 degreeC in presence of NADH by fluorescence spe...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
LigandPNGBDBM50633249(CHEMBL5432105)
Affinity DataIC50: 1.40E+3nMAssay 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