BDBM97445 PT119
SMILES: CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
InChI Key: InChIKey=RPZKERMNVCALKE-UHFFFAOYSA-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-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM97445![]() (PT119) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP reductase (Staphylococcus aureus) | BDBM97445![]() (PT119) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus enoyl ACP reductase | Eur J Med Chem 88: 66-73 (2014) Article DOI: 10.1016/j.ejmech.2014.09.008 BindingDB Entry DOI: 10.7270/Q25T3N3S | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM97445![]() (PT119) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA | Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP reductase (FabI1) (Burkholderia pseudomallei) | BDBM97445![]() (PT119) | UniProtKB/TrEMBL GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 15 | -10.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University | Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1... | Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM97445![]() (PT119) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition concentration against human adenosine kinase | Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |