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Compile Data Set for Download or QSAR

Found 423 hits Enz. Inhib. hit(s) with Target = 'Glucose-6-phosphate 1-dehydrogenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens)
BDBM50236240
PNG
(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
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Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universidade de São Paulo

Curated by ChEMBL


Assay Description
Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burk plot


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


(Homo sapiens)
BDBM50236240
PNG
(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
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3.40E+3n/an/an/an/an/an/an/an/a



Universidade de São Paulo

Curated by ChEMBL


Assay Description
Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot


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


(Homo sapiens)
BDBM50223368
PNG
(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
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6.20E+3n/an/an/an/an/an/an/an/a



Universidade de São Paulo

Curated by ChEMBL


Assay Description
Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burk plot


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


(Homo sapiens)
BDBM50223368
PNG
(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
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8.90E+3n/an/an/an/an/an/an/an/a



Universidade de São Paulo

Curated by ChEMBL


Assay Description
Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot


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


(Homo sapiens)
BDBM50388478
PNG
(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
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n/an/a 900n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388488
PNG
(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
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388494
PNG
(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
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388490
PNG
(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
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388489
PNG
(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
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388522
PNG
(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
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388492
PNG
(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
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388523
PNG
(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
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388491
PNG
(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
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388493
PNG
(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
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388495
PNG
(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
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388491
PNG
(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
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM50388520
PNG
(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
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388486
PNG
(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
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388477
PNG
(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
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388484
PNG
(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
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388498
PNG
(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
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388489
PNG
(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
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM50273
PNG
(2-[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylami...)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-12-8-14(3)19(9-13(12)2)29(26,27)22-17-10-18(28-11-20(23)24)21(25)16-7-5-4-6-15(16)17/h4-10,22,25H,11H2,1-3H3,(H,23,24)
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n/an/a 8.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 8.87E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388492
PNG
(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
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM50388479
PNG
(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
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50236240
PNG
(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
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388488
PNG
(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
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n/an/a 9.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM50388500
PNG
(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
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM34791
PNG
(MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...)
Show SMILES CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3S/c1-12-8-10-14(11-9-12)19-15(18-16(17-2)20-19)13-6-4-3-5-7-13/h3-11H,1-2H3/p+1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388505
PNG
(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
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM80025
PNG
(2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-hydroqu...)
Show SMILES Cc1cc(O)c(cc1O)-c1cc(O)c(C)cc1O
Show InChI InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50223368
PNG
(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
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM34960
PNG
(2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one | 2-(2...)
Show SMILES O=c1n(sc2ccccc12)-c1nccs1
Show InChI InChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
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n/an/a 1.13E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM81109
PNG
(8-(2-cyclohexylidenehydrazinyl)-7-[2-(4-methoxyphe...)
Show SMILES COc1ccc(CCn2c(NN=C3CCCCC3)nc3n(C)c(=O)[nH]c(=O)c23)cc1
Show InChI InChI=1S/C21H26N6O3/c1-26-18-17(19(28)23-21(26)29)27(13-12-14-8-10-16(30-2)11-9-14)20(22-18)25-24-15-6-4-3-5-7-15/h8-11H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,28,29)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM46581
PNG
(2-[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]napht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
Show InChI InChI=1S/C18H14N2O7S2/c21-17(22)10-28-16-9-15(13-6-1-2-7-14(13)18(16)23)19-29(26,27)12-5-3-4-11(8-12)20(24)25/h1-9,19,23H,10H2,(H,21,22)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388521
PNG
(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
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388478
PNG
(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
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM34709
PNG
(MLS000567780 | N-(1-adamantyl)-2-(3-keto-1,2-benzo...)
Show SMILES O=C(Cn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22N2O2S/c22-17(11-21-18(23)15-3-1-2-4-16(15)24-21)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,22)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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n/an/a 1.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388494
PNG
(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
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM81051
PNG
(2-[6-bromanyl-2-(2-bromophenyl)-4-phenyl-4H-quinaz...)
Show SMILES NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2N=C1c1ccccc1Br
Show InChI InChI=1S/C22H18Br2N4O/c23-15-10-11-19-17(12-15)21(14-6-2-1-3-7-14)28(13-20(29)27-25)22(26-19)16-8-4-5-9-18(16)24/h1-12,21H,13,25H2,(H,27,29)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388483
PNG
(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
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388516
PNG
(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
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50388490
PNG
(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
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n/an/a 1.74E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide


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


(Homo sapiens)
BDBM50388506
PNG
(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
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
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n/an/a 2.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM50388517
PNG
(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
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay 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...


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


(Homo sapiens)
BDBM50645
PNG
(2-[(2-amino-5-methoxy-3-nitrophenyl)disulfanyl]-4-...)
Show SMILES COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O6S2/c1-23-7-3-9(17(19)20)13(15)11(5-7)25-26-12-6-8(24-2)4-10(14(12)16)18(21)22/h3-6H,15-16H2,1-2H3
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n/an/a 2.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
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