BDBM231620 CG400549::US10071965, Compound CG400549
SMILES: Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O
InChI Key: InChIKey=YCLREGRRHGLOAK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NADPH-dependent enoyl-ACP reductase (FabI) (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | 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... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | 1.30 | -12.1 | 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-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | 4.70 | 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-ACP Reductase (FabI) (Escherichia coli) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 81.9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | 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... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | 81.9 | -9.66 | 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-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | 99.4 | 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) |