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PubMed code 26343826

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123843
PNG
(CHEMBL3623427)
Show SMILES Cc1ccc(Oc2cn(C)c(COc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C21H21NO3/c1-15-9-10-20(16(2)11-15)25-21-13-22(3)17(12-19(21)23)14-24-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123848
PNG
(CHEMBL3623422)
Show SMILES Cc1cc(Cl)ccc1Oc1cn(C)c(COc2ccccc2)cc1=O
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
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n/an/a 110n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123853
PNG
(CHEMBL3623417)
Show SMILES Cn1cc(Oc2ccc(Cl)cc2Cl)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-19(25-18-8-7-13(20)9-16(18)21)17(23)10-14(22)12-24-15-5-3-2-4-6-15/h2-11H,12H2,1H3
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n/an/a 120n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123838
PNG
(CHEMBL3623432)
Show SMILES Cn1cc(Oc2cccc(Cl)c2Cl)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-18(25-17-9-5-8-15(20)19(17)21)16(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3
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n/an/a 220n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123827
PNG
(CHEMBL3623392)
Show SMILES Cc1ccc(Oc2coc(COc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C20H18O4/c1-14-8-9-19(15(2)10-14)24-20-13-23-17(11-18(20)21)12-22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123849
PNG
(CHEMBL3623421)
Show SMILES Cc1cc(Cl)ccc1Oc1c[nH]c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C19H16ClNO3/c1-13-9-14(20)7-8-18(13)24-19-11-21-15(10-17(19)22)12-23-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22)
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n/an/a 400n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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
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n/an/a 440n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123828
PNG
(CHEMBL3623391)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(COc2ccccc2)cc1=O
Show InChI InChI=1S/C19H15ClO4/c1-13-9-14(20)7-8-18(13)24-19-12-23-16(10-17(19)21)11-22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
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n/an/a 450n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123847
PNG
(CHEMBL3623423)
Show SMILES Cc1cc(Cl)ccc1Oc1cn(C2CC2)c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C22H20ClNO3/c1-15-11-16(23)7-10-21(15)27-22-13-24(17-8-9-17)18(12-20(22)25)14-26-19-5-3-2-4-6-19/h2-7,10-13,17H,8-9,14H2,1H3
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n/an/a 470n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123852
PNG
(CHEMBL3623418)
Show SMILES Clc1ccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2NO3/c22-14-6-9-20(18(23)10-14)27-21-12-24(15-7-8-15)16(11-19(21)25)13-26-17-4-2-1-3-5-17/h1-6,9-12,15H,7-8,13H2
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n/an/a 480n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123846
PNG
(CHEMBL3623424)
Show SMILES CCCCn1cc(Oc2ccc(Cl)cc2C)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C23H24ClNO3/c1-3-4-12-25-15-23(28-22-11-10-18(24)13-17(22)2)21(26)14-19(25)16-27-20-8-6-5-7-9-20/h5-11,13-15H,3-4,12,16H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123845
PNG
(CHEMBL3623425)
Show SMILES Cc1cc(Cl)ccc1Oc1cn(Cc2ccccc2)c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C26H22ClNO3/c1-19-14-21(27)12-13-25(19)31-26-17-28(16-20-8-4-2-5-9-20)22(15-24(26)29)18-30-23-10-6-3-7-11-23/h2-15,17H,16,18H2,1H3
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n/an/a 650n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123832
PNG
(CHEMBL3621751)
Show SMILES Cn1cc(Oc2cccc(c2Cl)[N+]([O-])=O)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C19H15ClN2O5/c1-21-11-18(27-17-9-5-8-15(19(17)20)22(24)25)16(23)10-13(21)12-26-14-6-3-2-4-7-14/h2-11H,12H2,1H3
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n/an/a 660n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123829
PNG
(CHEMBL3623390)
Show SMILES Clc1ccc(Oc2coc(COc3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C18H12Cl2O4/c19-12-6-7-17(15(20)8-12)24-18-11-23-14(9-16(18)21)10-22-13-4-2-1-3-5-13/h1-9,11H,10H2
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n/an/a 680n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123835
PNG
(CHEMBL3621748)
Show SMILES Cn1cc(Oc2c(Cl)cccc2Cl)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-18(25-19-15(20)8-5-9-16(19)21)17(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3
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n/an/a 720n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123839
PNG
(CHEMBL3623431)
Show SMILES Clc1cccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C18H13Cl2NO3/c19-14-7-4-8-16(18(14)20)24-17-10-21-12(9-15(17)22)11-23-13-5-2-1-3-6-13/h1-10H,11H2,(H,21,22)
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n/an/a 840n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123841
PNG
(CHEMBL3623429)
Show SMILES CCCCn1cc(Oc2ccc(C)cc2C)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C24H27NO3/c1-4-5-13-25-16-24(28-23-12-11-18(2)14-19(23)3)22(26)15-20(25)17-27-21-9-7-6-8-10-21/h6-12,14-16H,4-5,13,17H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123844
PNG
(CHEMBL3623426)
Show SMILES Cc1ccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C20H19NO3/c1-14-8-9-19(15(2)10-14)24-20-12-21-16(11-18(20)22)13-23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,22)
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n/an/a 1.14E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123826
PNG
(CHEMBL3623393)
Show SMILES Clc1cccc(Oc2coc(COc3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C18H12Cl2O4/c19-14-7-4-8-16(18(14)20)24-17-11-23-13(9-15(17)21)10-22-12-5-2-1-3-6-12/h1-9,11H,10H2
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123851
PNG
(CHEMBL3623419)
Show SMILES CCCCn1cc(Oc2ccc(Cl)cc2Cl)c(=O)cc1COc1ccccc1
Show InChI InChI=1S/C22H21Cl2NO3/c1-2-3-11-25-14-22(28-21-10-9-16(23)12-19(21)24)20(26)13-17(25)15-27-18-7-5-4-6-8-18/h4-10,12-14H,2-3,11,15H2,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123850
PNG
(CHEMBL3623420)
Show SMILES Clc1ccc(Oc2cn(Cc3ccccc3)c(COc3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C25H19Cl2NO3/c26-19-11-12-24(22(27)13-19)31-25-16-28(15-18-7-3-1-4-8-18)20(14-23(25)29)17-30-21-9-5-2-6-10-21/h1-14,16H,15,17H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123825
PNG
(CHEMBL3623394)
Show SMILES Clc1cccc(Cl)c1Oc1coc(COc2ccccc2)cc1=O
Show InChI InChI=1S/C18H12Cl2O4/c19-14-7-4-8-15(20)18(14)24-17-11-23-13(9-16(17)21)10-22-12-5-2-1-3-6-12/h1-9,11H,10H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123837
PNG
(CHEMBL3621746)
Show SMILES Clc1cccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C21H17Cl2NO3/c22-17-7-4-8-19(21(17)23)27-20-12-24(14-9-10-14)15(11-18(20)25)13-26-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123854
PNG
(CHEMBL3623416)
Show SMILES Clc1ccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2NO3/c19-12-6-7-17(15(20)8-12)24-18-10-21-13(9-16(18)22)11-23-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
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n/an/a 1.82E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123865
PNG
(CHEMBL3623406)
Show SMILES Clc1ccc(Oc2coc(\C=C\c3ccoc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C17H10Cl2O4/c18-12-2-4-16(14(19)7-12)23-17-10-22-13(8-15(17)20)3-1-11-5-6-21-9-11/h1-10H/b3-1+
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n/an/a 1.89E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123864
PNG
(CHEMBL3623407)
Show SMILES Clc1ccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2NO3/c19-13-4-6-17(15(20)8-13)24-18-11-23-14(9-16(18)22)5-3-12-2-1-7-21-10-12/h1-11H/b5-3+
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n/an/a 2.04E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123862
PNG
(CHEMBL3621228)
Show SMILES Cc1ccc(Oc2coc(\C=C\c3ccoc3)cc2=O)c(C)c1
Show InChI InChI=1S/C19H16O4/c1-13-3-6-18(14(2)9-13)23-19-12-22-16(10-17(19)20)5-4-15-7-8-21-11-15/h3-12H,1-2H3/b5-4+
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n/an/a 2.29E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123822
PNG
(CHEMBL3623397)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccoc2)cc1=O
Show InChI InChI=1S/C18H13ClO4/c1-12-8-14(19)3-5-17(12)23-18-11-22-15(9-16(18)20)4-2-13-6-7-21-10-13/h2-11H,1H3/b4-2+
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n/an/a 2.45E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123840
PNG
(CHEMBL3623430)
Show SMILES Cc1ccc(Oc2cn(Cc3ccccc3)c(COc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C27H25NO3/c1-20-13-14-26(21(2)15-20)31-27-18-28(17-22-9-5-3-6-10-22)23(16-25(27)29)19-30-24-11-7-4-8-12-24/h3-16,18H,17,19H2,1-2H3
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n/an/a 2.69E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123820
PNG
(CHEMBL3623399)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2cccnc2)cc1=O
Show InChI InChI=1S/C19H14ClNO3/c1-13-9-15(20)5-7-18(13)24-19-12-23-16(10-17(19)22)6-4-14-3-2-8-21-11-14/h2-12H,1H3/b6-4+
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n/an/a 2.94E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123819
PNG
(CHEMBL3623400)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccsc2)cc1=O
Show InChI InChI=1S/C18H13ClO3S/c1-12-8-14(19)3-5-17(12)22-18-10-21-15(9-16(18)20)4-2-13-6-7-23-11-13/h2-11H,1H3/b4-2+
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n/an/a 3.12E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123842
PNG
(CHEMBL3623428)
Show SMILES Cc1ccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C23H23NO3/c1-16-8-11-22(17(2)12-16)27-23-14-24(18-9-10-18)19(13-21(23)25)15-26-20-6-4-3-5-7-20/h3-8,11-14,18H,9-10,15H2,1-2H3
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n/an/a 3.17E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123858
PNG
(CHEMBL3623412)
Show SMILES Clc1cccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c1Cl
Show InChI InChI=1S/C18H11Cl2NO3/c19-14-4-1-5-16(18(14)20)24-17-11-23-13(9-15(17)22)7-6-12-3-2-8-21-10-12/h1-11H/b7-6+
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n/an/a 3.44E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123861
PNG
(CHEMBL3623409)
Show SMILES Cc1ccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c(C)c1
Show InChI InChI=1S/C20H17NO3/c1-14-5-8-19(15(2)10-14)24-20-13-23-17(11-18(20)22)7-6-16-4-3-9-21-12-16/h3-13H,1-2H3/b7-6+
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n/an/a 3.48E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123824
PNG
(CHEMBL3623395)
Show SMILES Cc1c(Oc2coc(COc3ccccc3)cc2=O)cccc1[N+]([O-])=O
Show InChI InChI=1S/C19H15NO6/c1-13-16(20(22)23)8-5-9-18(13)26-19-12-25-15(10-17(19)21)11-24-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3
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n/an/a 3.52E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123855
PNG
(CHEMBL3623415)
Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2cccnc2)cc1=O
Show InChI InChI=1S/C18H11Cl2NO3/c19-14-4-1-5-15(20)18(14)24-17-11-23-13(9-16(17)22)7-6-12-3-2-8-21-10-12/h1-11H/b7-6+
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n/an/a 3.74E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123821
PNG
(CHEMBL3623398)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccco2)cc1=O
Show InChI InChI=1S/C18H13ClO4/c1-12-9-13(19)4-7-17(12)23-18-11-22-15(10-16(18)20)6-5-14-3-2-8-21-14/h2-11H,1H3/b6-5+
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n/an/a 3.89E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123856
PNG
(CHEMBL3623414)
Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2ccoc2)cc1=O
Show InChI InChI=1S/C17H10Cl2O4/c18-13-2-1-3-14(19)17(13)23-16-10-22-12(8-15(16)20)5-4-11-6-7-21-9-11/h1-10H/b5-4+
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n/an/a 4.12E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123866
PNG
(CHEMBL3623405)
Show SMILES Clc1ccc(Oc2coc(\C=C\c3ccccc3)cc2=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-7-9-18(16(21)10-14)24-19-12-23-15(11-17(19)22)8-6-13-4-2-1-3-5-13/h1-12H/b8-6+
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n/an/a 4.53E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123818
PNG
(CHEMBL3623401)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2cccs2)cc1=O
Show InChI InChI=1S/C18H13ClO3S/c1-12-9-13(19)4-7-17(12)22-18-11-21-14(10-16(18)20)5-6-15-3-2-8-23-15/h2-11H,1H3/b6-5+
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n/an/a 4.57E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123857
PNG
(CHEMBL3623413)
Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2ccccc2)cc1=O
Show InChI InChI=1S/C19H12Cl2O3/c20-15-7-4-8-16(21)19(15)24-18-12-23-14(11-17(18)22)10-9-13-5-2-1-3-6-13/h1-12H/b10-9+
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n/an/a 4.79E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123823
PNG
(CHEMBL3623396)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccccc2)cc1=O
Show InChI InChI=1S/C20H15ClO3/c1-14-11-16(21)8-10-19(14)24-20-13-23-17(12-18(20)22)9-7-15-5-3-2-4-6-15/h2-13H,1H3/b9-7+
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n/an/a 4.88E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123836
PNG
(CHEMBL3621747)
Show SMILES Clc1cccc(Cl)c1Oc1c[nH]c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C18H13Cl2NO3/c19-14-7-4-8-15(20)18(14)24-17-10-21-12(9-16(17)22)11-23-13-5-2-1-3-6-13/h1-10H,11H2,(H,21,22)
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n/an/a 4.98E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123830
PNG
(CHEMBL3621753)
Show SMILES COCc1cc(=O)c(Oc2ccc(Cl)cc2)co1
Show InChI InChI=1S/C13H11ClO4/c1-16-7-11-6-12(15)13(8-17-11)18-10-4-2-9(14)3-5-10/h2-6,8H,7H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123863
PNG
(CHEMBL3623408)
Show SMILES Cc1ccc(Oc2coc(\C=C\c3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C21H18O3/c1-15-8-11-20(16(2)12-15)24-21-14-23-18(13-19(21)22)10-9-17-6-4-3-5-7-17/h3-14H,1-2H3/b10-9+
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n/an/a 5.33E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123859
PNG
(CHEMBL3623411)
Show SMILES Clc1cccc(Oc2coc(\C=C\c3ccoc3)cc2=O)c1Cl
Show InChI InChI=1S/C17H10Cl2O4/c18-13-2-1-3-15(17(13)19)23-16-10-22-12(8-14(16)20)5-4-11-6-7-21-9-11/h1-10H/b5-4+
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n/an/a 5.68E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123927
PNG
(CHEMBL3623404)
Show SMILES CC(C)\C=C\c1cc(=O)c(Oc2ccc(Cl)cc2C)co1
Show InChI InChI=1S/C17H17ClO3/c1-11(2)4-6-14-9-15(19)17(10-20-14)21-16-7-5-13(18)8-12(16)3/h4-11H,1-3H3/b6-4+
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n/an/a 5.78E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123812
PNG
(CHEMBL3623402)
Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccc[nH]2)cc1=O
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+
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n/an/a 5.82E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123834
PNG
(CHEMBL3621749)
Show SMILES Clc1cccc(Cl)c1Oc1cn(C2CC2)c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C21H17Cl2NO3/c22-17-7-4-8-18(23)21(17)27-20-12-24(14-9-10-14)15(11-19(20)25)13-26-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
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n/an/a 6.43E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123928
PNG
(CHEMBL3623403)
Show SMILES CCC\C=C\c1cc(=O)c(Oc2ccc(Cl)cc2C)co1
Show InChI InChI=1S/C17H17ClO3/c1-3-4-5-6-14-10-15(19)17(11-20-14)21-16-8-7-13(18)9-12(16)2/h5-11H,3-4H2,1-2H3/b6-5+
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n/an/a 6.44E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123860
PNG
(CHEMBL3623410)
Show SMILES Clc1cccc(Oc2coc(\C=C\c3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C19H12Cl2O3/c20-15-7-4-8-17(19(15)21)24-18-12-23-14(11-16(18)22)10-9-13-5-2-1-3-6-13/h1-12H/b10-9+
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n/an/a 6.73E+3n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123833
PNG
(CHEMBL3621750)
Show SMILES [O-][N+](=O)c1cccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C18H13ClN2O5/c19-18-14(21(23)24)7-4-8-16(18)26-17-10-20-12(9-15(17)22)11-25-13-5-2-1-3-6-13/h1-10H,11H2,(H,20,22)
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n/an/a 1.17E+4n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)
BDBM50123831
PNG
(CHEMBL3621752)
Show SMILES [O-][N+](=O)c1cccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c1Cl
Show InChI InChI=1S/C21H17ClN2O5/c22-21-17(24(26)27)7-4-8-19(21)29-20-12-23(14-9-10-14)15(11-18(20)25)13-28-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
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n/an/a 1.76E+4n/an/an/an/an/an/a



The Catholic University of Korea

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...


Bioorg Med Chem Lett 25: 4481-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.077
BindingDB Entry DOI: 10.7270/Q2154JV0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%