Compile Data Set for Download or QSAR

Found 33 hits of ki 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 (6PGD) (Homo sapiens (Human))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148765 (1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148790 ((2R,3R)-2,3-Dihydroxy-4-phosphonooxy-butyric acid ...) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)C([O-])=O Show InChI InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-1/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148765 (1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148769 ((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...) Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148777 (2,3,4,5-tetrahydroxy-6-{[hydroxy(dioxido)phosphora...) Show SMILES CC(O)(C(O)COP(O)([O-])[O-])C(O)C(O)C([O-])=O Show InChI InChI=1/C7H15O10P/c1-7(13,5(10)4(9)6(11)12)3(8)2-17-18(14,15)16/h3-5,8-10,13-14,18H,2H2,1H3,(H,11,12)/q-2/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (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=1/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 GoogleScholar	Purchase 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 (6PGD) (Homo sapiens (Human))	BDBM50148786 (3,4,5-trihydroxy-6-{[hydroxy(dioxido)phosphoranyl]...) Show SMILES CC(O)(C(O)COP(O)([O-])[O-])C(O)CC([O-])=O Show InChI InChI=1/C7H15O9P/c1-7(12,4(8)2-6(10)11)5(9)3-16-17(13,14)15/h4-5,8-9,12-13,17H,2-3H2,1H3,(H,10,11)/q-2/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase DrugBank PC cid PC sid UniChem Similars	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 (6PGD) (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 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	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 (6PGD) (Homo sapiens (Human))	BDBM50148790 ((2R,3R)-2,3-Dihydroxy-4-phosphonooxy-butyric acid ...) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)C([O-])=O Show InChI InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-1/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148777 (2,3,4,5-tetrahydroxy-6-{[hydroxy(dioxido)phosphora...) Show SMILES CC(O)(C(O)COP(O)([O-])[O-])C(O)C(O)C([O-])=O Show InChI InChI=1/C7H15O10P/c1-7(13,5(10)4(9)6(11)12)3(8)2-17-18(14,15)16/h3-5,8-10,13-14,18H,2H2,1H3,(H,11,12)/q-2/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148769 ((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...) Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148785 (((R)-2-Acetoxy-3-phosphonooxy-propane-1-sulfinyl)-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)CS(=O)CC(O)=O Show InChI InChI=1S/C7H13O9PS/c1-5(8)16-6(2-15-17(11,12)13)3-18(14)4-7(9)10/h6H,2-4H2,1H3,(H,9,10)(H2,11,12,13)/t6-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (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 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	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 (6PGD) (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=1/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 GoogleScholar	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 (6PGD) (Homo sapiens (Human))	BDBM50148779 (Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...) Show SMILES CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O Show InChI InChI=1S/C31H34NO11P/c1-23(33)32(38-19-26-13-7-4-8-14-26)31(36)30(43-25(3)35)29(42-24(2)34)22-41-44(37,39-20-27-15-9-5-10-16-27)40-21-28-17-11-6-12-18-28/h4-18,29-30H,19-22H2,1-3H3/t29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM25902 (4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem 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 (6PGD) (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 Show InChI InChI=1/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-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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 (6PGD) (Homo sapiens (Human))	BDBM50148779 (Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...) Show SMILES CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O Show InChI InChI=1S/C31H34NO11P/c1-23(33)32(38-19-26-13-7-4-8-14-26)31(36)30(43-25(3)35)29(42-24(2)34)22-41-44(37,39-20-27-15-9-5-10-16-27)40-21-28-17-11-6-12-18-28/h4-18,29-30H,19-22H2,1-3H3/t29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148770 (((R)-2-Hydroxy-3-phosphonooxy-propane-1-sulfinyl)-...) Show SMILES O[C@H](COP(O)(O)=O)CS(=O)CC(O)=O Show InChI InChI=1S/C5H11O8PS/c6-4(1-13-14(9,10)11)2-15(12)3-5(7)8/h4,6H,1-3H2,(H,7,8)(H2,9,10,11)/t4-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148778 (CHEMBL114894 | Phosphoric acid mono-((R)-(R)-5-car...) Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(N)=O Show InChI InChI=1S/C7H14NO7P/c1-7(2)14-4(3-13-16(10,11)12)5(15-7)6(8)9/h4-5H,3H2,1-2H3,(H2,8,9)(H2,10,11,12)/t4-,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148785 (((R)-2-Acetoxy-3-phosphonooxy-propane-1-sulfinyl)-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)CS(=O)CC(O)=O Show InChI InChI=1S/C7H13O9PS/c1-5(8)16-6(2-15-17(11,12)13)3-18(14)4-7(9)10/h6H,2-4H2,1H3,(H,9,10)(H2,11,12,13)/t6-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	6.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148778 (CHEMBL114894 | Phosphoric acid mono-((R)-(R)-5-car...) Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(N)=O Show InChI InChI=1S/C7H14NO7P/c1-7(2)14-4(3-13-16(10,11)12)5(15-7)6(8)9/h4-5H,3H2,1-2H3,(H2,8,9)(H2,10,11,12)/t4-,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148786 (3,4,5-trihydroxy-6-{[hydroxy(dioxido)phosphoranyl]...) Show SMILES CC(O)(C(O)COP(O)([O-])[O-])C(O)CC([O-])=O Show InChI InChI=1/C7H15O9P/c1-7(12,4(8)2-6(10)11)5(9)3-16-17(13,14)15/h4-5,8-9,12-13,17H,2-3H2,1H3,(H,10,11)/q-2/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Similars	Article PubMed	7.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148770 (((R)-2-Hydroxy-3-phosphonooxy-propane-1-sulfinyl)-...) Show SMILES O[C@H](COP(O)(O)=O)CS(=O)CC(O)=O Show InChI InChI=1S/C5H11O8PS/c6-4(1-13-14(9,10)11)2-15(12)3-5(7)8/h4,6H,1-3H2,(H,7,8)(H2,9,10,11)/t4-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	7.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem 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 (6PGD) (Homo sapiens (Human))	BDBM50043906 (CHEMBL269001 | Dorzolamide | MK-507 | US10172837, ...) Show SMILES CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1/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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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 (6PGD) (Homo sapiens (Human))	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	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 (6PGD) (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	DrugBank 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