Compile Data Set for Download or QSAR
Found 68 Enz. Inhib. hit(s) with all data for entry = 50040049
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388478(CHEMBL2057971)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 900nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388488(CHEMBL2057293)
Show SMILES CCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C22H36N2O2/c1-4-23-20(26)24-15-9-11-21(2)14(13-15)5-6-16-17-7-8-19(25)22(17,3)12-10-18(16)21/h14-18H,4-13H2,1-3H3,(H2,23,24,26)/t14-,15-,16-,17-,18-,21-,22-/m0/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388490(CHEMBL2057300)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H32N2O3S/c1-18-9-7-13(21-25(20,23)24)11-12(18)3-4-14-15-5-6-17(22)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3,(H2,20,23,24)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388494(CHEMBL2057640)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H36N2O4S/c1-20-9-7-14(23-28(22,26)27)11-13(20)3-4-15-16-5-6-18(19(25)12-24)21(16,2)10-8-17(15)20/h13-18,23-24H,3-12H2,1-2H3,(H2,22,26,27)/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388489(CHEMBL2057296)
Show SMILES COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H33NO3/c1-20-10-8-14(22-19(24)25-3)12-13(20)4-5-15-16-6-7-18(23)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3,(H,22,24)/t13-,14-,15-,16-,17-,20-,21-/m0/s1
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388522(CHEMBL2057294)
Show SMILES CCCCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C24H40N2O2/c1-4-5-14-25-22(28)26-17-10-12-23(2)16(15-17)6-7-18-19-8-9-21(27)24(19,3)13-11-20(18)23/h16-20H,4-15H2,1-3H3,(H2,25,26,28)/t16-,17-,18-,19-,20-,23-,24-/m0/s1
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388492(CHEMBL2057310)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(N)(=O)=O
Show InChI InChI=1S/C21H36N2O3S/c1-13(24)17-6-7-18-16-5-4-14-12-15(23-27(22,25)26)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3,(H2,22,25,26)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388523(CHEMBL2057974)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CBr
Show InChI InChI=1S/C21H33BrO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388491(CHEMBL2057307)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(C)(=O)=O
Show InChI InChI=1S/C22H37NO3S/c1-14(24)18-7-8-19-17-6-5-15-13-16(23-27(4,25)26)9-11-21(15,2)20(17)10-12-22(18,19)3/h15-20,23H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+/m0/s1
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388493(CHEMBL2057318)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C22H37NO4S/c1-21-10-8-15(23-28(3,26)27)12-14(21)4-5-16-17-6-7-19(20(25)13-24)22(17,2)11-9-18(16)21/h14-19,23-24H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388495(CHEMBL2057301)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388491(CHEMBL2057307)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(C)(=O)=O
Show InChI InChI=1S/C22H37NO3S/c1-14(24)18-7-8-19-17-6-5-15-13-16(23-27(4,25)26)9-11-21(15,2)20(17)10-12-22(18,19)3/h15-20,23H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+/m0/s1
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388520(CHEMBL2057291)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NC(N)=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H32N2O2/c1-19-9-7-13(22-18(21)24)11-12(19)3-4-14-15-5-6-17(23)20(15,2)10-8-16(14)19/h12-16H,3-11H2,1-2H3,(H3,21,22,24)/t12-,13-,14-,15-,16-,19-,20-/m0/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388486(CHEMBL2057979)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388477(CHEMBL1908012)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388484(CHEMBL2057978)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,19+,20-,21-/m0/s1
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388498(CHEMBL2057297)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H33NO3S/c1-19-10-8-14(21-25(3,23)24)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h13-17,21H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-/m0/s1
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388489(CHEMBL2057296)
Show SMILES COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H33NO3/c1-20-10-8-14(22-19(24)25-3)12-13(20)4-5-15-16-6-7-18(23)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3,(H,22,24)/t13-,14-,15-,16-,17-,20-,21-/m0/s1
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388492(CHEMBL2057310)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(N)(=O)=O
Show InChI InChI=1S/C21H36N2O3S/c1-13(24)17-6-7-18-16-5-4-14-12-15(23-27(22,25)26)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3,(H2,22,25,26)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388479(CHEMBL2057973)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CCl
Show InChI InChI=1S/C21H33ClO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50236240(5alpha-androstan-3beta-OL-17-one | CHEMBL272195 | ...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
Affinity DataIC50: 9.40E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388488(CHEMBL2057293)
Show SMILES CCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C22H36N2O2/c1-4-23-20(26)24-15-9-11-21(2)14(13-15)5-6-16-17-7-8-19(25)22(17,3)12-10-18(16)21/h14-18H,4-13H2,1-3H3,(H2,23,24,26)/t14-,15-,16-,17-,18-,21-,22-/m0/s1
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388500(CHEMBL2057299)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(=O)(=O)c3ccccc3)[C@@H]1CCC2=O
Show InChI InChI=1S/C25H35NO3S/c1-24-14-12-18(26-30(28,29)19-6-4-3-5-7-19)16-17(24)8-9-20-21-10-11-23(27)25(21,2)15-13-22(20)24/h3-7,17-18,20-22,26H,8-16H2,1-2H3/t17-,18-,20-,21-,22-,24-,25-/m0/s1
Affinity DataIC50: 9.90E+3nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388505(CHEMBL2057308)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C23H39NO3S/c1-5-28(26,27)24-17-10-12-22(3)16(14-17)6-7-18-20-9-8-19(15(2)25)23(20,4)13-11-21(18)22/h16-21,24H,5-14H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50223368(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388521(CHEMBL2057292)
Show SMILES CNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H34N2O2/c1-20-10-8-14(23-19(25)22-3)12-13(20)4-5-15-16-6-7-18(24)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3,(H2,22,23,25)/t13-,14-,15-,16-,17-,20-,21-/m0/s1
Affinity DataIC50: 1.22E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388478(CHEMBL2057971)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388494(CHEMBL2057640)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H36N2O4S/c1-20-9-7-14(23-28(22,26)27)11-13(20)3-4-15-16-5-6-18(19(25)12-24)21(16,2)10-8-17(15)20/h13-18,23-24H,3-12H2,1-2H3,(H2,22,26,27)/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388483(CHEMBL2057977)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,19+,20-,21+/m0/s1
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388516(CHEMBL2057645)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@@H](O)C2=O
Show InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388490(CHEMBL2057300)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H32N2O3S/c1-18-9-7-13(21-25(20,23)24)11-12(18)3-4-14-15-5-6-17(22)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3,(H2,20,23,24)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
Affinity DataIC50: 1.74E+4nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388506(CHEMBL2057309)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H39NO3S/c1-18(29)23-11-12-24-22-10-9-19-17-20(28-32(30,31)21-7-5-4-6-8-21)13-15-26(19,2)25(22)14-16-27(23,24)3/h4-8,19-20,22-25,28H,9-17H2,1-3H3/t19-,20-,22-,23+,24-,25-,26-,27+/m0/s1
Affinity DataIC50: 2.03E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388517(CHEMBL445472)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@@H](Br)C2=O
Show InChI InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
Affinity DataIC50: 2.08E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50223368(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
Affinity DataIC50: 2.49E+4nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388482(CHEMBL1256760)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388511(CHEMBL2057316)
Show SMILES CCNC(=O)NC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C24H40N2O3/c1-4-25-22(29)26-16-9-11-23(2)15(13-16)5-6-17-18-7-8-20(21(28)14-27)24(18,3)12-10-19(17)23/h15-20,27H,4-14H2,1-3H3,(H2,25,26,29)/t15-,16?,17-,18-,19-,20+,23-,24-/m0/s1
Affinity DataIC50: 3.49E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388493(CHEMBL2057318)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C22H37NO4S/c1-21-10-8-15(23-28(3,26)27)12-14(21)4-5-16-17-6-7-19(20(25)13-24)22(17,2)11-9-18(16)21/h14-19,23-24H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1
Affinity DataIC50: 3.52E+4nMAssay Description:Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamideMore data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388507(CHEMBL2057311)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C23H40N2O3S/c1-15(26)19-8-9-20-18-7-6-16-14-17(24-29(27,28)25(4)5)10-12-22(16,2)21(18)11-13-23(19,20)3/h16-21,24H,6-14H2,1-5H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
Affinity DataIC50: 3.78E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388512(CHEMBL2057317)
Show SMILES COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C23H37NO4/c1-22-10-8-15(24-21(27)28-3)12-14(22)4-5-16-17-6-7-19(20(26)13-25)23(17,2)11-9-18(16)22/h14-19,25H,4-13H2,1-3H3,(H,24,27)/t14-,15-,16-,17-,18-,19+,22-,23-/m0/s1
Affinity DataIC50: 4.16E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388487(CHEMBL2057980)
Show SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388515(CHEMBL1088283)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@@H](Br)C2=O
Show InChI InChI=1S/C19H27BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h3,12-16,21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50191342(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 6.60E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388499(CHEMBL2057298)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H35NO3S/c1-4-26(24,25)22-15-9-11-20(2)14(13-15)5-6-16-17-7-8-19(23)21(17,3)12-10-18(16)20/h14-18,22H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/m0/s1
Affinity DataIC50: 7.05E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50375319(PREGNENOLONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 8.14E+4nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388502(CHEMBL2057304)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(N)=O
Show InChI InChI=1S/C22H36N2O2/c1-13(25)17-6-7-18-16-5-4-14-12-15(24-20(23)26)8-10-21(14,2)19(16)9-11-22(17,18)3/h14-19H,4-12H2,1-3H3,(H3,23,24,26)/t14-,15-,16-,17+,18-,19-,21-,22+/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388519(CHEMBL2057290)
Show SMILES CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H33NO2/c1-13(23)22-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(24)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3,(H,22,23)/t14-,15-,16-,17-,18-,20-,21-/m0/s1
Affinity DataIC50: 1.28E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388474(CHEMBL2057969)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2N=O
Show InChI InChI=1S/C19H31NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20-22)19(15,2)10-8-16(14)18/h12-17,21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17?,18-,19-/m0/s1
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388475(CHEMBL1076355)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@]21CO1
Show InChI InChI=1S/C20H30O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h3,14-17,21H,4-12H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+/m0/s1
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388476(CHEMBL2057970)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@]21CCO1
Show InChI InChI=1S/C21H32O2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)11-12-23-21/h3,15-18,22H,4-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50388480(CHEMBL2057975)
Show SMILES CC(N=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,23H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...More data for this Ligand-Target Pair
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