BDBM50633247 CHEMBL5408425

SMILES Cc1cc(Nc2ccc(cc2)N2CCCCC2)c2cc(Cl)ccc2n1

InChI Key InChIKey=FFAIJOWYNOZQMO-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50633247   

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

Curated by ChEMBL
LigandPNGBDBM50633247(CHEMBL5408425)
Affinity DataIC50: 1.10E+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
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50633247(CHEMBL5408425)
Affinity DataKd:  900nMAssay 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
LigandPNGBDBM50633247(CHEMBL5408425)
Affinity DataKi:  430nMAssay 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
LigandPNGBDBM50633247(CHEMBL5408425)
Affinity DataKi:  460nMAssay 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
LigandPNGBDBM50633247(CHEMBL5408425)
Affinity DataKi:  1.33E+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