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Compile Data Set for Download or QSAR

Found 94 hits of ic50 data for polymerid = 50006183   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396489
PNG
(CHEMBL2170943)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396486
PNG
(CHEMBL2171113)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-
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n/an/a 1.37E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396521
PNG
(CHEMBL2170936)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396519
PNG
(CHEMBL2170938)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396486
PNG
(CHEMBL2171113)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396489
PNG
(CHEMBL2170943)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396521
PNG
(CHEMBL2170936)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-
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n/an/a 2.06E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396522
PNG
(CHEMBL2170935)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-
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n/an/a 2.35E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396517
PNG
(CHEMBL2170940)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1
Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-
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n/an/a 2.39E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396488
PNG
(CHEMBL2170929)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1
Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-
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n/an/a 2.56E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396519
PNG
(CHEMBL2170938)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-
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n/an/a 2.61E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396517
PNG
(CHEMBL2170940)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1
Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396515
PNG
(CHEMBL2170945)
Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396488
PNG
(CHEMBL2170929)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1
Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396520
PNG
(CHEMBL2170937)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-6-16(28)13-26-22(29)15-8-9-19-18(11-15)27-23(30)20(31-19)12-14-5-3-7-17(24)21(14)25/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,26,29)(H,27,30)/b20-12-
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n/an/a 3.89E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396515
PNG
(CHEMBL2170945)
Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396522
PNG
(CHEMBL2170935)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-
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n/an/a 4.13E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396518
PNG
(CHEMBL2170939)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc4ccccc34)C(=O)Nc2c1
Show InChI InChI=1S/C27H27N3O2S/c1-2-30-14-6-10-21(30)17-28-26(31)20-12-13-24-23(15-20)29-27(32)25(33-24)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15-16,21H,2,6,10,14,17H2,1H3,(H,28,31)(H,29,32)/b25-16-
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396518
PNG
(CHEMBL2170939)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc4ccccc34)C(=O)Nc2c1
Show InChI InChI=1S/C27H27N3O2S/c1-2-30-14-6-10-21(30)17-28-26(31)20-12-13-24-23(15-20)29-27(32)25(33-24)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15-16,21H,2,6,10,14,17H2,1H3,(H,28,31)(H,29,32)/b25-16-
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n/an/a 4.28E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396487
PNG
(CHEMBL2170930)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(C)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-4-5-19(27)15-25-23(28)18-10-11-21-20(14-18)26-24(29)22(30-21)13-17-8-6-16(2)7-9-17/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-13-
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n/an/a 4.42E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396516
PNG
(CHEMBL2170944)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396508
PNG
(CHEMBL2170923)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396513
PNG
(CHEMBL2171111)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1
Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396524
PNG
(CHEMBL2170933)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3C)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-6-9-19(27)15-25-23(28)18-10-11-21-20(13-18)26-24(29)22(30-21)14-17-8-5-4-7-16(17)2/h4-5,7-8,10-11,13-14,19H,3,6,9,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396520
PNG
(CHEMBL2170937)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-6-16(28)13-26-22(29)15-8-9-19-18(11-15)27-23(30)20(31-19)12-14-5-3-7-17(24)21(14)25/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,26,29)(H,27,30)/b20-12-
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n/an/a 5.72E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396513
PNG
(CHEMBL2171111)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1
Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396524
PNG
(CHEMBL2170933)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3C)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-6-9-19(27)15-25-23(28)18-10-11-21-20(13-18)26-24(29)22(30-21)14-17-8-5-4-7-16(17)2/h4-5,7-8,10-11,13-14,19H,3,6,9,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-
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n/an/a 5.93E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396516
PNG
(CHEMBL2170944)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m0/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396508
PNG
(CHEMBL2170923)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396508
PNG
(CHEMBL2170923)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396525
PNG
(CHEMBL2170932)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C23H25N3O2S/c1-2-26-12-6-9-18(26)15-24-22(27)17-10-11-20-19(14-17)25-23(28)21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3,(H,24,27)(H,25,28)/b21-13-
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n/an/a 8.23E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396509
PNG
(CHEMBL2170922)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C22H25N3O2S/c1-3-25(4-2)13-12-23-21(26)17-10-11-19-18(15-17)24-22(27)20(28-19)14-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/b20-14-
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396499
PNG
(CHEMBL2170915)
Show SMILES Cc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C23H25N3O2S/c1-16-5-4-6-17(13-16)14-21-23(28)25-19-15-18(7-8-20(19)29-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/b21-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM70014
PNG
((2Z)-2-benzal-3-keto-N-(3-pyrrolidinopropyl)-4H-1,...)
Show SMILES O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C23H25N3O2S/c27-22(24-11-6-14-26-12-4-5-13-26)18-9-10-20-19(16-18)25-23(28)21(29-20)15-17-7-2-1-3-8-17/h1-3,7-10,15-16H,4-6,11-14H2,(H,24,27)(H,25,28)/b21-15-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396508
PNG
(CHEMBL2170923)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396502
PNG
(CHEMBL2170912)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/b20-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396523
PNG
(CHEMBL2170934)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O3S/c1-3-27-12-6-8-18(27)15-25-23(28)17-10-11-21-19(13-17)26-24(29)22(31-21)14-16-7-4-5-9-20(16)30-2/h4-5,7,9-11,13-14,18H,3,6,8,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-
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n/an/a 9.79E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396502
PNG
(CHEMBL2170912)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/b20-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396496
PNG
(CHEMBL2170918)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCCCC1
Show InChI InChI=1S/C24H26FN3O2S/c25-19-8-4-3-7-17(19)16-22-24(30)27-20-15-18(9-10-21(20)31-22)23(29)26-11-14-28-12-5-1-2-6-13-28/h3-4,7-10,15-16H,1-2,5-6,11-14H2,(H,26,29)(H,27,30)/b22-16-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396500
PNG
(CHEMBL2170914)
Show SMILES Clc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H22ClN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/b20-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396512
PNG
(CHEMBL2171112)
Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396523
PNG
(CHEMBL2170934)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O3S/c1-3-27-12-6-8-18(27)15-25-23(28)17-10-11-21-19(13-17)26-24(29)22(31-21)14-16-7-4-5-9-20(16)30-2/h4-5,7,9-11,13-14,18H,3,6,8,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396487
PNG
(CHEMBL2170930)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(C)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-4-5-19(27)15-25-23(28)18-10-11-21-20(14-18)26-24(29)22(30-21)13-17-8-6-16(2)7-9-17/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-13-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396499
PNG
(CHEMBL2170915)
Show SMILES Cc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C23H25N3O2S/c1-16-5-4-6-17(13-16)14-21-23(28)25-19-15-18(7-8-20(19)29-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/b21-14-
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396506
PNG
(CHEMBL2170925)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)Nc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-4-26(5-2)12-11-24-22(27)18-9-10-20-19(15-18)25-23(28)21(29-20)14-17-8-6-7-16(3)13-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,27)(H,25,28)/b21-14-
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396507
PNG
(CHEMBL2170924)
Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1
Show InChI InChI=1S/C22H24ClN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-
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PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396502
PNG
(CHEMBL2170912)
Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/b20-14-
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396512
PNG
(CHEMBL2171112)
Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-
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n/an/a 1.67E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396512
PNG
(CHEMBL2171112)
Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396484
PNG
(CHEMBL2170931)
Show SMILES Clc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C23H24ClN3O2S/c24-18-6-3-5-16(13-18)14-21-23(29)26-19-15-17(7-8-20(19)30-21)22(28)25-9-4-12-27-10-1-2-11-27/h3,5-8,13-15H,1-2,4,9-12H2,(H,25,28)(H,26,29)/b21-14-
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)

More data for this
Ligand-Target Pair
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