Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with Target = 'Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase'
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292583(CHEMBL4164794)
Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C9H20N2O7S/c1-17-9-8(14)7(13)6(12)5(18-9)4-11-19(15,16)3-2-10/h5-9,11-14H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1
Affinity DataKi:  2.28E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292582(CHEMBL4162427)
Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H22N4O7S/c1-20-9-8(17)7(16)6(15)5(21-9)4-14-22(18,19)3-2-13-10(11)12/h5-9,14-17H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1
Affinity DataKi:  3.24E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292585(CHEMBL4161382)
Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1
Affinity DataKi:  3.44E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292584(CHEMBL4172694)
Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C11H23N3O7S/c1-20-10-9(17)8(16)7(15)6(21-10)5-22(18,19)4-2-3-14-11(12)13/h6-10,15-17H,2-5H2,1H3,(H4,12,13,14)/t6-,7-,8+,9-,10+/m1/s1
Affinity DataKi:  4.29E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292590(CHEMBL4162165)
Show SMILES CO[C@H]1O[C@H](CSCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21N3O5S/c1-17-9-8(16)7(15)6(14)5(18-9)4-19-3-2-13-10(11)12/h5-9,14-16H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1
Affinity DataKi:  4.56E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292586(CHEMBL4169301)
Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCC#N)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H17NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1
Affinity DataKi:  6.88E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292580(CHEMBL4172838)
Show SMILES CO[C@H]1O[C@H](CSCCN)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C9H19NO5S/c1-14-9-8(13)7(12)6(11)5(15-9)4-16-3-2-10/h5-9,11-13H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1
Affinity DataKi:  7.61E+4nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292589(CHEMBL4159624)
Show SMILES CO[C@H]1O[C@H](CSCCC#N)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H17NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1
Affinity DataKi:  2.59E+5nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292587(CHEMBL4167547)
Show SMILES CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1
Affinity DataKi:  2.89E+5nMAssay Description:Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50292581(CHEMBL4165870)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2Sc3c(C)cccc3C(=O)Nc2c1
Show InChI InChI=1S/C22H25N3O2S/c1-3-25-11-5-7-16(25)13-23-21(26)15-9-10-19-18(12-15)24-22(27)17-8-4-6-14(2)20(17)28-19/h4,6,8-10,12,16H,3,5,7,11,13H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1
Affinity DataIC50: 190nMAssay Description:Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
TargetBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase(Plasmodium falciparum (isolate 3D7))
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50396489(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
Affinity DataIC50: 900nMAssay Description:Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair