BDBM50443004 CHEMBL3088173

SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1

InChI Key InChIKey=UXRSVTXAGGLLHU-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50443004   

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

Curated by ChEMBL
LigandPNGBDBM50443004(CHEMBL3088173)
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443004(CHEMBL3088173)
Affinity DataKd:  12nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA in presence of NADHMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443004(CHEMBL3088173)
Affinity DataKd:  9.30E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443004(CHEMBL3088173)
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using dodecenoyl-CoA as substrate in presence of NADH by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443004(CHEMBL3088173)
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis ATCC 25618 InhAMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)