Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 8110
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((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
Affinity DataKi:  5.20E+3nM IC50: 8.00E+3nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM1(dT | thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Affinity DataKi:  1.54E+4nM IC50: 2.10E+4nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM233193(Thiocolchicoside)
Show SMILES COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC
Show InChI InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1
Affinity DataKi:  3.97E+4nM IC50: 5.60E+4nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM50056998(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)
Affinity DataKi:  5.79E+4nM IC50: 6.70E+4nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM18050(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=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
Affinity DataKi:  9.10E+4nM IC50: 1.14E+5nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM25902(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)
Affinity DataKi:  1.87E+5nM IC50: 3.15E+5nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM82479(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
Affinity DataKi:  4.97E+5nM IC50: 5.30E+5nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM233194(Methylprednisolone acetate)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
Affinity DataKi:  5.41E+5nM IC50: 2.23E+6nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM233195(Paricalcitol)
Show SMILES C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
Show InChI InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
Affinity DataKi:  4.29E+6nM IC50: 2.28E+6nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM97162(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
Affinity DataKi:  8.21E+6nM IC50: 8.11E+6nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM233196(Gadobenate-dimeglumine)
Show SMILES OC(=O)CN(CCN(CCN(CC(O)=O)C(COCc1ccccc1)C([O-])=O)CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C22H31N3O11/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/p-3
Affinity DataKi:  4.84E+7nM IC50: 1.15E+8nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid