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Compile Data Set for Download or QSAR

Found 10 hits of ic50 data for polymerid = 50005713   
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


(Saccharomyces cerevisiae S288c)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50236531
PNG
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50135169
PNG
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50373221
PNG
(CHEMBL408233)
Show SMILES CCOc1cccc(c1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O |w:17.18|
Show InChI InChI=1S/C19H18N4O3/c1-2-26-15-8-5-7-13(10-15)16-11-17(22-21-16)19(25)23-20-12-14-6-3-4-9-18(14)24/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)
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n/an/a 2.18E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50373222
PNG
(CHEMBL408232)
Show SMILES Oc1cccc(C=NNC(=S)NN=Cc2cccc(O)c2O)c1O |w:12.11,6.5|
Show InChI InChI=1S/C15H14N4O4S/c20-11-5-1-3-9(13(11)22)7-16-18-15(24)19-17-8-10-4-2-6-12(21)14(10)23/h1-8,20-23H,(H2,18,19,24)
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n/an/a 5.64E+4n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50373220
PNG
((-)-GALLOCATECHIN)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50236527
PNG
((-)-catechin | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Saccharomyces cerevisiae S288c)
BDBM50187665
PNG
((-)-epigallocatechin | CHEMBL47386)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of yeast G6PD


Bioorg Med Chem 16: 3580-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.030
BindingDB Entry DOI: 10.7270/Q2F190K1
More data for this
Ligand-Target Pair