BDBM50633248 CHEMBL5408765

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

InChI Key InChIKey=JODDVKBKBLHAOT-UHFFFAOYSA-N

Data  3 KI  1 IC50  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50633248   

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

Curated by ChEMBL
LigandPNGBDBM50633248(CHEMBL5408765)
Affinity DataKd:  280nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 15 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
LigandPNGBDBM50633248(CHEMBL5408765)
Affinity DataKd:  470nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 20 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
LigandPNGBDBM50633248(CHEMBL5408765)
Affinity DataKd:  810nMAssay 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
LigandPNGBDBM50633248(CHEMBL5408765)
Affinity DataKd:  1.34E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 30 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