Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | 0.100 | -57.1 | 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) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.120 | 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 [NADH] FabI (Escherichia coli) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.90 | -49.8 | 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 | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | 26.9 | 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) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 308 | -37.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University | Assay Description Inhibition constant binding to E-NADH | 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 |