null
SMILES: Oc1cc(F)ccc1Oc1ccccc1
InChI Key: InChIKey=DEMPPYSGPXLMNG-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB US Patent | 1.10 | -12.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent | Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac... | US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 1.42 | 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-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB US Patent | 92.6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20° C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis) | BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | Article PubMed | 289 | -8.91 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University | Assay Description Inhibition constant binding to E-NAD+ | ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC | |||||||||||
More data for this Ligand-Target Pair |