Found 18 hits with Last Name = 'shin' and Initial = 'es' Target/Host (Institution) | Ligand | Target/Host 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 | pH | Temp °C |
Glucose-6-phosphate 1-dehydrogenase
(Saccharomyces cerevisiae S288c) | BDBM50153015
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50153015
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50070942
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50135169
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50236531
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.64E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50373220
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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
(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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM23417
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50236527
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50187665
((-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AmorePacific Corporation
Curated by ChEMBL
| Assay Description Inhibition of 6PGD |
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
((-)-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 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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 | |