BDBM50443008 Pyridomycin

SMILES CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C

InChI Key InChIKey=WHIKSLGSXKIHCA-UHFFFAOYSA-N

Data  3 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50443008   

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

Curated by ChEMBL
LigandPNGBDBM50443008(Pyridomycin)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of wild type Mycobacterium tuberculosis inhAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443008(Pyridomycin)
Affinity DataIC50: 3.43E+3nMAssay Description:Inhibition of bacterial InhA harboring S94A mutant using 2-trans-octenoyl-CoA or 2-trans-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443008(Pyridomycin)
Affinity DataKi:  4.55E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA S94AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443008(Pyridomycin)
Affinity DataKi:  4.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA S94A mutant assessed as NADH oxidation using 2-trans-dodecenoyl-coA as substrate measured every min for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50443008(Pyridomycin)
Affinity DataKi:  6.50E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis wild type InhAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)