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PubMed code 20235752

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM94597
PNG
((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
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Article
PubMed
8.30E+3n/a 8.40E+3n/an/an/an/an/an/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
PNG
(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)
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Article
PubMed
1.01E+4n/a 1.20E+4n/an/an/an/an/an/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
PNG
(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)
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Article
PubMed
5.09E+4n/a 5.50E+4n/an/an/an/an/an/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))
BDBM25902
PNG
(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)
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PubMed
1.27E+5n/a 1.25E+5n/an/an/an/an/an/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
PNG
(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
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Article
PubMed
1.37E+5n/a 1.42E+5n/an/an/an/an/an/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))
BDBM48320
PNG
(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)
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Article
PubMed
2.11E+6n/a 3.27E+6n/an/an/an/an/an/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))
BDBM97162
PNG
(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
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6.04E+6n/a 3.66E+6n/an/an/an/an/an/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
PNG
(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
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7.34E+7n/a 2.09E+8n/an/an/an/an/an/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
* indicates data uncertainty>20%