Found 134 hits with Last Name = 'knudson' and Initial = 'se' 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 [NADH]
(Francisella tularensis) | 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
KEGG
UniProtKB/TrEMBL
B.MOAD
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| PDB
Article
PubMed
| 0.0510 | -58.7 | 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 | 
3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM36543
(5-propyl-2-phenoxyphenol | PT02)Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3 | PDB
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| MMDB
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PDB
UniChem
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| Article
PubMed
| 0.440 | -53.4 | 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 [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50373347
(CHEMBL264175 | PT15)Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)21-16-10-8-15(19)9-11-16/h7-13,20H,2-6,19H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | 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 Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038
BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50373348
(CHEMBL264434 | PT13)Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3 | PDB
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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| Article
PubMed
| 1 | 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 Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038
BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM16296
(5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...)Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3 | PDB
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| 1.30 | -50.7 | 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) | 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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| 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-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | 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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| 1.90 | -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 [NADH]
(Francisella tularensis) | 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
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| 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) | 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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| 2 | 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]
(Francisella tularensis) | BDBM16294
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3 | PDB
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| 2.10 | -49.5 | 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) | 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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| Article
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| 2.70 | 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]
(Francisella tularensis) | BDBM16297
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB
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| Article
PubMed
| 2.70 | -48.9 | 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 [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]
(Francisella tularensis) | BDBM36540
(5-bromo-2-phenoxylphenol | PT103)Show InChI InChI=1S/C12H9BrO2/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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| PC cid
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| Article
PubMed
| 7.10 | -46.5 | 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) | BDBM190653
(PT172)Show InChI InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3 | PDB
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| PC cid
PC sid
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| Article
PubMed
| 11 | 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 [NADPH] FabI
(Staphylococcus aureus) | BDBM231623
(PT159)Show InChI InChI=1S/C20H24N2O/c1-3-4-5-6-11-19-13-20(23)18(15-22(19)2)12-16-9-7-8-10-17(16)14-21/h7-10,13,15H,3-6,11-12H2,1-2H3 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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 [NADPH] FabI
(Staphylococcus aureus) | 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
| 11.9 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
(Staphylococcus aureus) | BDBM190655
(PT179)Show InChI InChI=1S/C18H23NO/c1-2-3-4-6-9-16-12-13-19(18(20)14-16)15-17-10-7-5-8-11-17/h5,7-8,10-14H,2-4,6,9,15H2,1H3 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | 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]
(Francisella tularensis) | BDBM16298
(5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB
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| 23.6 | -43.5 | 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) | BDBM231621
(PT420)Show InChI InChI=1S/C18H20N2O/c1-2-3-4-7-15-10-11-20(18(21)12-15)14-17-9-6-5-8-16(17)13-19/h5-6,8-12H,2-4,7,14H2,1H3 | PDB
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| Article
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| 29.6 | 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 | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382338
(CHEMBL2024344)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
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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| 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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| 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 | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382339
(CHEMBL2024338)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM36540
(5-bromo-2-phenoxylphenol | PT103)Show InChI InChI=1S/C12H9BrO2/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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| 149 | -39.0 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM16298
(5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB
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| 192 | -38.3 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
(Staphylococcus aureus) | BDBM231624
(PT191)Show InChI InChI=1S/C17H21NO2/c1-2-3-4-6-9-14-12-13-16(17(19)18-14)20-15-10-7-5-8-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,18,19) | PDB
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| 197 | 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]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | 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
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| 200 | 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 Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038
BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| 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 [NADPH] FabI
(Staphylococcus aureus) | BDBM231622
(PT170 | US10071965, Compound PT170)Show InChI InChI=1S/C13H12ClNO/c1-10-6-7-15(13(16)8-10)9-11-4-2-3-5-12(11)14/h2-8H,9H2,1H3 | PDB
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PubMed
| 229 | 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]
(Francisella tularensis) | 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
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| 247 | -37.7 | 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 | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382338
(CHEMBL2024344)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | 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
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| Article
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| 289 | -37.3 | 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 [NADH]
(Francisella tularensis) | 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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| 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM16294
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3 | PDB
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| 311 | -37.1 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM16297
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB
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| 331 | -37.0 | 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 | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382337
(CHEMBL2024335)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM36543
(5-propyl-2-phenoxyphenol | PT02)Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3 | PDB
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| 696 | -35.1 | 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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM36541
(5-nitro-2-phenoxylphenol | PT104)Show InChI InChI=1S/C12H9NO4/c14-11-8-9(13(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8,14H | PDB
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| 789 | -34.8 | 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 | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382339
(CHEMBL2024338)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 792 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50382337
(CHEMBL2024335)Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 | PDB
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| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 2: 818-823 (2011)
Article DOI: 10.1021/ml200141e
BindingDB Entry DOI: 10.7270/Q2B56KRM |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | 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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| 2.26E+3 | -32.2 | 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 [NADH]
(Francisella tularensis) | 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
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.00E+3 | -30.3 | 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 |
3D Structure (crystal) |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329094
((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...)Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329084
((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...)Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 | PDB
MMDB
KEGG
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B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com... |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329084
((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...)Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329085
((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...)Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com... |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329085
((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...)Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
1,4-dihydroxy-2-naphthoyl-CoA synthase
(Mycobacterium tuberculosis) | BDBM50329094
((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...)Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com... |
Bioorg Med Chem Lett 20: 6306-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Inhibition of 1 nM Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038
BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this
Ligand-Target Pair | |
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