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PubMed code 19217192

Compile data set for download or QSAR
Found 17 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


(Plasmodium falciparum)
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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50n/an/an/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in E. coli BL21(DE3) by spectrophotometry


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25419
PNG
(5-benzyl-2-(2,4-dichlorophenoxy)phenol | Triclosan...)
Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
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n/an/a 71n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
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 73n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25420
PNG
(2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol | ...)
Show SMILES Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2
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n/an/a 76n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25412
PNG
(2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol | ...)
Show SMILES CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C17H18Cl2O2/c1-11(2)3-4-12-5-7-17(15(20)9-12)21-16-8-6-13(18)10-14(16)19/h5-11,20H,3-4H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25410
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol |...)
Show SMILES CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25417
PNG
(2-(2,4-dichlorophenoxy)-5-(4-methylphenyl)phenol |...)
Show SMILES Cc1ccc(cc1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-2-4-13(5-3-12)14-6-8-19(17(22)10-14)23-18-9-7-15(20)11-16(18)21/h2-11,22H,1H3
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n/an/a 190n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25416
PNG
(2-(2,4-dichlorophenoxy)-5-(3-methylphenyl)phenol |...)
Show SMILES Cc1cccc(c1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C19H14Cl2O2/c1-12-3-2-4-13(9-12)14-5-7-19(17(22)10-14)23-18-8-6-15(20)11-16(18)21/h2-11,22H,1H3
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n/an/a 230n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50295633
PNG
(2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol | ...)
Show SMILES CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 |w:2.2|
Show InChI InChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25415
PNG
(3-chloro-4-[2-hydroxy-4-(2-methylphenyl)phenoxy]be...)
Show SMILES Cc1ccccc1-c1ccc(Oc2ccc(cc2Cl)C#N)c(O)c1
Show InChI InChI=1S/C20H14ClNO2/c1-13-4-2-3-5-16(13)15-7-9-20(18(23)11-15)24-19-8-6-14(12-22)10-17(19)21/h2-11,23H,1H3
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n/an/a 410n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25409
PNG
(5-butyl-2-(2,4-dichlorophenoxy)phenol | Triclosan ...)
Show SMILES CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3
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n/an/a 480n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25425
PNG
(2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phen...)
Show SMILES Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
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n/an/a 640n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25422
PNG
(3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benz...)
Show SMILES Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccccn1
Show InChI InChI=1S/C18H11ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H
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n/an/a 700n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25426
PNG
(2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phen...)
Show SMILES Oc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO2/c19-14-4-6-17(15(20)10-14)23-18-5-3-12(9-16(18)22)8-13-2-1-7-21-11-13/h1-7,9-11,22H,8H2
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n/an/a 840n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50182397
PNG
(2-(2-((benzylamino)methyl)phenoxy)-5-chlorophenol ...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1CNCCc1ccccc1
Show InChI InChI=1S/C21H20ClNO2/c22-18-10-11-21(19(24)14-18)25-20-9-5-4-8-17(20)15-23-13-12-16-6-2-1-3-7-16/h1-11,14,23-24H,12-13,15H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50182380
PNG
(2-(2-aminophenoxy)-5-chlorophenol | 2-(4-chloro-2-...)
Show SMILES Nc1ccccc1Oc1ccc(Cl)cc1O
Show InChI InChI=1S/C12H10ClNO2/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,15H,14H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM25405
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzamide | Tricl...)
Show SMILES NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H9Cl2NO3/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(16)18)5-10(12)17/h1-6,17H,(H2,16,18)
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n/an/a 2.10E+4n/an/an/an/an/an/a



International Centre for Science and High Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase


Eur J Med Chem 44: 3009-19 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.028
BindingDB Entry DOI: 10.7270/Q20K28MM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%