Found 37 hits of ki for UniProtKB: P11413 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 |
|---|
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
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| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analys... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905
BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
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| 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905
BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50236240
(5alpha-androstan-3beta-OL-17-one | CHEMBL272195 | ...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 | PDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burk plot |
Bioorg Med Chem 17: 2483-9 (2009)
Article DOI: 10.1016/j.bmc.2009.01.068
BindingDB Entry DOI: 10.7270/Q2WQ03NP |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50236240
(5alpha-androstan-3beta-OL-17-one | CHEMBL272195 | ...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 | PDB
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot |
Bioorg Med Chem 17: 2483-9 (2009)
Article DOI: 10.1016/j.bmc.2009.01.068
BindingDB Entry DOI: 10.7270/Q2WQ03NP |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(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
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| 5.20E+3 | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
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| 5.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Non-competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten an... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905
BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50223368
(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 | PDB
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| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burk plot |
Bioorg Med Chem 17: 2483-9 (2009)
Article DOI: 10.1016/j.bmc.2009.01.068
BindingDB Entry DOI: 10.7270/Q2WQ03NP |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50223368
(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 | PDB
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| 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot |
Bioorg Med Chem 17: 2483-9 (2009)
Article DOI: 10.1016/j.bmc.2009.01.068
BindingDB Entry DOI: 10.7270/Q2WQ03NP |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
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| 9.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Non-competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905
BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM1
(dT | thymidine)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ | PDB
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| 1.54E+4 | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50593534
(CHEMBL5202473)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| | PDB
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| PC cid
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| 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292582
(CHEMBL4162427)Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H22N4O7S/c1-20-9-8(17)7(16)6(15)5(21-9)4-14-22(18,19)3-2-13-10(11)12/h5-9,14-17H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1 | PDB
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| 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292584
(CHEMBL4172694)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23N3O7S/c1-20-10-9(17)8(16)7(15)6(21-10)5-22(18,19)4-2-3-14-11(12)13/h6-10,15-17H,2-5H2,1H3,(H4,12,13,14)/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292584
(CHEMBL4172694)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23N3O7S/c1-20-10-9(17)8(16)7(15)6(21-10)5-22(18,19)4-2-3-14-11(12)13/h6-10,15-17H,2-5H2,1H3,(H4,12,13,14)/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292585
(CHEMBL4161382)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| 3.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of VLA-4 expressed in Jurkat cell line, in a cell-based adhesion assay. |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292585
(CHEMBL4161382)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| 3.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM233193
(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 | PDB
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| 3.97E+4 | n/a | 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(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
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| Article
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| 5.79E+4 | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(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
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| Article
PubMed
| 9.10E+4 | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292587
(CHEMBL4167547)Show SMILES CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292587
(CHEMBL4167547)Show SMILES CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(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
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| Article
PubMed
| 1.87E+5 | n/a | 3.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292590
(CHEMBL4162165)Show SMILES CO[C@H]1O[C@H](CSCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21N3O5S/c1-17-9-8(16)7(15)6(14)5(18-9)4-19-3-2-13-10(11)12/h5-9,14-16H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1 | PDB
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| PC cid
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292589
(CHEMBL4159624)Show SMILES CO[C@H]1O[C@H](CSCCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| PC cid
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292586
(CHEMBL4169301)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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antibodypedia
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| PC cid
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Similars
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PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292589
(CHEMBL4159624)Show SMILES CO[C@H]1O[C@H](CSCCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| PC cid
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Similars
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292586
(CHEMBL4169301)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1 | PDB
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| PC cid
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292590
(CHEMBL4162165)Show SMILES CO[C@H]1O[C@H](CSCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21N3O5S/c1-17-9-8(16)7(15)6(14)5(18-9)4-19-3-2-13-10(11)12/h5-9,14-16H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1 | PDB
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| PC cid
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50593535
(CHEMBL5190364)Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O |r| | PDB
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| PC cid
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UniChem
| Article
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| >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292583
(CHEMBL4164794)Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O7S/c1-17-9-8(14)7(13)6(12)5(18-9)4-11-19(15,16)3-2-10/h5-9,11-14H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1 | PDB
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GoogleScholar
AffyNet
| PC cid
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Similars
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PubMed
| >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM82479
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15| 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 | PDB
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| Article
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| 4.97E+5 | n/a | 5.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM233194
(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 |c:26,t:30| 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 | PDB
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MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 5.41E+5 | n/a | 2.23E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292580
(CHEMBL4172838)Show SMILES CO[C@H]1O[C@H](CSCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO5S/c1-14-9-8(13)7(12)6(11)5(15-9)4-16-3-2-10/h5-9,11-13H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1 | PDB
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| PC cid
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Similars
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PubMed
| >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr... |
Eur J Med Chem 146: 108-122 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.044
BindingDB Entry DOI: 10.7270/Q2CN76FJ |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50292580
(CHEMBL4172838)Show SMILES CO[C@H]1O[C@H](CSCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO5S/c1-14-9-8(13)7(12)6(11)5(15-9)4-16-3-2-10/h5-9,11-13H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1 | PDB
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| PC cid
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| >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01577
BindingDB Entry DOI: 10.7270/Q28G8QPM |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM233195
(Paricalcitol)Show SMILES [#6]-[#6@H](\[#6]=[#6]\[#6@H](-[#6])C([#6])([#6])[#8])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 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 | PDB
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UniChem
| Article
PubMed
| 4.29E+6 | n/a | 2.28E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(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
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Similars
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PubMed
| 8.21E+6 | n/a | 8.11E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM233196
(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 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 4.84E+7 | n/a | 1.15E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description
Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581
BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this
Ligand-Target Pair | |
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