Found 11 hits of ki for UniProtKB: P0AEK4 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 [NADH] FabI
(Escherichia coli) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB
MMDB
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
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Similars
| DrugBank
PDB
| 0.00700 | 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 | 
3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM36537
(2-phenoxylphenol | PT51 | US10071965, Compound PT5...)Show InChI InChI=1S/C12H10O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13H | PDB
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MCE
PC cid
PC sid
UniChem
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| | 0.5 | 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] FabI
(Escherichia coli) | BDBM36538
(5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...)Show InChI InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H | PDB
MMDB
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| MMDB
PC cid
PC sid
PDB
UniChem
| | 0.700 | 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] FabI
(Escherichia coli) | BDBM36539
(5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...)Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H | PDB
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| | 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] FabI
(Escherichia coli) | BDBM36542
(5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...)Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3 | PDB
MMDB
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| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 7 | 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] FabI
(Escherichia coli) | BDBM190661
(PT166)Show InChI InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3 | PDB
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| PC cid
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| PDB
Article
PubMed
| 7 | 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-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM231620
(CG400549 | US10071965, Compound CG400549)Show InChI InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3 | PDB
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PC cid
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| 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-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM190652
(LOX inhibitor, 13 | PT171)Show InChI InChI=1S/C23H24ClN3O2/c1-17(28)26-11-13-27(14-12-26)21-7-5-20(6-8-21)25-16-22-9-10-23(29-22)18-3-2-4-19(24)15-18/h2-10,15,25H,11-14,16H2,1H3 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95.7 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM190654
(PT173)Show InChI InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3 | PDB
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| PC cid
PC sid
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| Article
PubMed
| 203 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
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| Article
PubMed
| 7.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong Agricultural University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins |
Bioorg Med Chem Lett 20: 56-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.042
BindingDB Entry DOI: 10.7270/Q2MP547S |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong Agricultural University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins |
Bioorg Med Chem Lett 20: 56-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.042
BindingDB Entry DOI: 10.7270/Q2MP547S |
More data for this
Ligand-Target Pair | |
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