Found 200 hits Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH] FabI' 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] 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
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| 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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| | 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
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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
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| MMDB
PC cid
PC sid
PDB
UniChem
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| | 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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| 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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| 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
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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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481111
(CHEMBL566647)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCNCC3)Cc2c1 Show InChI InChI=1S/C26H28N4O2S/c1-17-20-5-3-4-6-21(20)33-22(17)16-30(2)23(31)8-7-18-13-19-14-26(9-11-27-12-10-26)25(32)29-24(19)28-15-18/h3-8,13,15,27H,9-12,14,16H2,1-2H3,(H,28,29,32)/b8-7+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481110
(CHEMBL586043)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCNCC3)Cc2c1 Show InChI InChI=1S/C26H28N4O3/c1-17-20-5-3-4-6-21(20)33-22(17)16-30(2)23(31)8-7-18-13-19-14-26(9-11-27-12-10-26)25(32)29-24(19)28-15-18/h3-8,13,15,27H,9-12,14,16H2,1-2H3,(H,28,29,32)/b8-7+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481112
(CHEMBL567711)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCN(C)CC3)Cc2c1 Show InChI InChI=1S/C27H30N4O3/c1-18-21-6-4-5-7-22(21)34-23(18)17-31(3)24(32)9-8-19-14-20-15-27(10-12-30(2)13-11-27)26(33)29-25(20)28-16-19/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,33)/b9-8+ | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481108
(CHEMBL566665)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCN(C)CC3)Cc2c1 Show InChI InChI=1S/C27H30N4O2S/c1-18-21-6-4-5-7-22(21)34-23(18)17-31(3)24(32)9-8-19-14-20-15-27(10-12-30(2)13-11-27)26(33)29-25(20)28-16-19/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,33)/b9-8+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
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
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8 |
J Nat Prod 76: 1064-70 (2013)
Article DOI: 10.1021/np400083k
BindingDB Entry DOI: 10.7270/Q2S75K77 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481114
(CHEMBL566043)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)N(CCN3CCOCC3)Cc2c1 Show InChI InChI=1S/C27H31N5O3S/c1-19-22-5-3-4-6-23(22)36-24(19)18-30(2)25(33)8-7-20-15-21-17-32(27(34)29-26(21)28-16-20)10-9-31-11-13-35-14-12-31/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,28,29,34)/b8-7+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481103
(CHEMBL583197)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCNCc2c1 Show InChI InChI=1S/C22H24N4OS/c1-15-18-5-3-4-6-19(18)28-20(15)14-26(2)21(27)8-7-16-11-17-13-23-9-10-24-22(17)25-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,24,25)/b8-7+ | PDB
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| PC cid
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594240
(CHEMBL5202156)Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H]1CNc2cc(\C=C\C(=O)N(C)Cc3oc4ccccc4c3C)cnc2NC1=O |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594241
(CHEMBL5196531)Show SMILES CN(Cc1c(C)oc2c(N)cccc12)C(=O)\C=C\c1cnc2NC(=O)C(CCc2c1)N1CCCC1 | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594236
(CHEMBL5190472)Show SMILES Cl.CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@H](N)CNc2c1 |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594237
(CHEMBL5190373)Show SMILES Cl.CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@H](N)CCc2c1 |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594238
(CHEMBL5205550)Show SMILES Cl.CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2CC(=O)[C@H](N)CCc2c1 |r| | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594239
(CHEMBL5200486)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@@H](CCc2c1)N1CCCC1 |r| | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481102
(CHEMBL567520)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCCNc2c1 Show InChI InChI=1S/C22H24N4O2/c1-15-17-6-3-4-7-19(17)28-20(15)14-26(2)21(27)9-8-16-12-18-22(25-13-16)24-11-5-10-23-18/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,24,25)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481105
(CHEMBL567313)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCCNc2c1 Show InChI InChI=1S/C22H24N4OS/c1-15-17-6-3-4-7-19(17)28-20(15)14-26(2)21(27)9-8-16-12-18-22(25-13-16)24-11-5-10-23-18/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,24,25)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481097
(CHEMBL565647)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCNCc2c1 Show InChI InChI=1S/C22H24N4O2/c1-15-18-5-3-4-6-19(18)28-20(15)14-26(2)21(27)8-7-16-11-17-13-23-9-10-24-22(17)25-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,24,25)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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UniChem
| Article
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481100
(CHEMBL576646)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCCNCc2c1 Show InChI InChI=1S/C23H26N4O2/c1-16-19-6-3-4-7-20(19)29-21(16)15-27(2)22(28)9-8-17-12-18-14-24-10-5-11-25-23(18)26-13-17/h3-4,6-9,12-13,24H,5,10-11,14-15H2,1-2H3,(H,25,26)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481106
(CHEMBL571088)Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCNCC3)Cc2c1 Show InChI InChI=1S/C26H29N5O2/c1-30(17-21-14-19-5-3-4-6-22(19)31(21)2)23(32)8-7-18-13-20-15-26(9-11-27-12-10-26)25(33)29-24(20)28-16-18/h3-8,13-14,16,27H,9-12,15,17H2,1-2H3,(H,28,29,33)/b8-7+ | PDB
MMDB
KEGG
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481109
(CHEMBL566666)Show SMILES CN(Cc1sc2ccc(F)cc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCN(C)CC3)Cc2c1 Show InChI InChI=1S/C27H29FN4O2S/c1-17-21-13-20(28)5-6-22(21)35-23(17)16-32(3)24(33)7-4-18-12-19-14-27(8-10-31(2)11-9-27)26(34)30-25(19)29-15-18/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,29,30,34)/b7-4+ | PDB
MMDB
KEGG
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B.MOAD
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| PC cid
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| Article
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Haemophilus influenzae) | BDBM8735
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481094
(CHEMBL567931)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCNc2c1 Show InChI InChI=1S/C22H22N4O3/c1-14-16-5-3-4-6-18(16)29-19(14)13-26(2)21(28)8-7-15-11-17-22(24-12-15)25-20(27)9-10-23-17/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,24,25,27)/b8-7+ | PDB
MMDB
KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481101
(CHEMBL567084)Show SMILES CN(Cc1sc2ccc(F)cc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCNc2c1 Show InChI InChI=1S/C22H21FN4O2S/c1-13-16-10-15(23)4-5-18(16)30-19(13)12-27(2)21(29)6-3-14-9-17-22(25-11-14)26-20(28)7-8-24-17/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,25,26,28)/b6-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481096
(CHEMBL567710)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CNCc2c1 Show InChI InChI=1S/C22H22N4O3/c1-14-17-5-3-4-6-18(17)29-19(14)13-26(2)21(28)8-7-15-9-16-11-23-12-20(27)25-22(16)24-10-15/h3-10,23H,11-13H2,1-2H3,(H,24,25,27)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM8735
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+ | PDB
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| MMDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 6.5 | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481098
(CHEMBL567311)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCC(=O)NCc2c1 Show InChI InChI=1S/C23H24N4O3/c1-15-18-5-3-4-6-19(18)30-20(15)14-27(2)22(29)8-7-16-11-17-13-25-21(28)9-10-24-23(17)26-12-16/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,26)(H,25,28)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481099
(CHEMBL570866)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCC(=O)NCc2c1 Show InChI InChI=1S/C22H22N4O3/c1-14-17-5-3-4-6-18(17)29-19(14)13-26(2)21(28)8-7-15-9-16-11-23-20(27)12-25-22(16)24-10-15/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,25)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481113
(CHEMBL568359)Show SMILES CCCOc1c(CN(C)C(=O)\C=C\c2cnc3NC(=O)C4(CCN(C)CC4)Cc3c2)cccc1OC Show InChI InChI=1S/C28H36N4O4/c1-5-15-36-25-21(7-6-8-23(25)35-4)19-32(3)24(33)10-9-20-16-22-17-28(11-13-31(2)14-12-28)27(34)30-26(22)29-18-20/h6-10,16,18H,5,11-15,17,19H2,1-4H3,(H,29,30,34)/b10-9+ | PDB
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KEGG
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| PC cid
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| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50399407
(CHEMBL2178284 | MUT056399)Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) | PDB
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Similars
| | n/a | n/a | 58 | 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) | BDBM50399407
(CHEMBL2178284 | MUT056399)Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) | PDB
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| | n/a | n/a | 58 | 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) | BDBM8734
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+ | PDB
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| PC cid
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Patents
Similars
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PubMed
| n/a | n/a | <60 | n/a | n/a | n/a | n/a | 6.5 | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481092
(CHEMBL566655)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H21N3O2S/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Haemophilus influenzae) | BDBM8736
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM8736
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <70 | n/a | n/a | n/a | n/a | 6.5 | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM8733
((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...)Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 6.5 | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50123848
(CHEMBL3623422)Show InChI InChI=1S/C20H18ClNO3/c1-14-10-15(21)8-9-19(14)25-20-12-22(2)16(11-18(20)23)13-24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 110 | 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
(Haemophilus influenzae) | BDBM8734
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | 30 |
GlaxoSmithKline
| Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e... |
J Med Chem 46: 1627-35 (2003)
Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481093
(CHEMBL566443)Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCNc2c1 Show InChI InChI=1S/C22H23N5O2/c1-26(14-17-12-16-5-3-4-6-19(16)27(17)2)21(29)8-7-15-11-18-22(24-13-15)25-20(28)9-10-23-18/h3-8,11-13,23H,9-10,14H2,1-2H3,(H,24,25,28)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094
BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM8732
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129
BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50123812
(CHEMBL3623402)Show InChI InChI=1S/C18H14ClNO3/c1-12-9-13(19)4-7-17(12)23-18-11-22-15(10-16(18)21)6-5-14-3-2-8-20-14/h2-11,20H,1H3/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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