BDBM50443008 PYRIDOMYCIN::Pyridomycin
SMILES: CC\C(C)=C1/OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O
InChI Key: InChIKey=WHIKSLGSXKIHCA-IGCCMALHSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443008 (PYRIDOMYCIN | Pyridomycin) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Swiss Federal Institute of Technology (ETH) Zurich Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA S94A mutant assessed as NADH oxidation using 2-trans-dodecenoyl-coA as substrate measured every min for... | ACS Med Chem Lett 4: 264-8 (2013) Article DOI: 10.1021/ml300385q BindingDB Entry DOI: 10.7270/Q27W6G4M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443008 (PYRIDOMYCIN | Pyridomycin) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich Curated by ChEMBL | Assay Description Inhibition of bacterial InhA harboring S94A mutant using 2-trans-octenoyl-CoA or 2-trans-dodecenoyl-CoA as substrate | J Med Chem 63: 1105-1131 (2020) Article DOI: 10.1021/acs.jmedchem.9b01457 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443008 (PYRIDOMYCIN | Pyridomycin) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of wild type Mycobacterium tuberculosis inhA | J Med Chem 56: 8533-42 (2013) Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |