Found 19 hits of ic50 data for polymerid = 5076 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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
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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 | |
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
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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
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| 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
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| 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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM87064
(Sulfonamide derivative, 5)Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(CC4CC(CCC4(C)C3CC(OC(C)=O)C12C)OC(C)=O)OC(C)=O Show InChI InChI=1S/C32H48N4O9S2/c1-16(7-10-27(40)34-29-35-36-30(46-29)47(33,41)42)22-8-9-23-28-24(15-26(32(22,23)6)45-19(4)39)31(5)12-11-21(43-17(2)37)13-20(31)14-25(28)44-18(3)38/h16,20-26,28H,7-15H2,1-6H3,(H2,33,41,42)(H,34,35,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20E+3 | n/a | 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
| Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr... |
J Enzyme Inhib Med Chem 23: 418-23 (2008)
Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM94597
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 8.30E+3 | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
Reactome pathway KEGG
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Similars
| DrugBank Article PubMed
| 1.01E+4 | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
Reactome pathway KEGG
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Similars
| DrugBank Article PubMed
| 5.09E+4 | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM87063
(Sulfonamide derivative, 3)Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Show InChI InChI=1S/C26H42N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-20,22,31-33H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.78E+4 | n/a | 6.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
| Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr... |
J Enzyme Inhib Med Chem 23: 418-23 (2008)
Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM25902
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) | PDB MMDB
Reactome pathway KEGG
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Patents
| DrugBank Article PubMed
| 1.27E+5 | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 1.37E+5 | n/a | 1.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
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
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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)) | 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
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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)) | 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
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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 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)) | 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
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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 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)) | BDBM50043906
(CHEMBL269001 | Dorzolamide | MK-507 | US10172837, ...)Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16) | PDB MMDB
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Similars
| Article PubMed
| 3.14E+6 | n/a | 1.41E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
| Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr... |
J Enzyme Inhib Med Chem 23: 418-23 (2008)
Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM48320
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 2.11E+6 | n/a | 3.27E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM97162
(MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...)Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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Similars
| DrugBank Article PubMed
| 6.04E+6 | n/a | 3.66E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Homo sapiens (Human)) | BDBM233150
(Gadopentetic acid)Show SMILES OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O Show InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-3 | PDB MMDB
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DrugBank MCE PC cid PC sid UniChem
| DrugBank Article PubMed
| 7.34E+7 | n/a | 2.09E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |