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Compile Data Set for Download or QSAR

Found 18 hits of ph data with Target = 'Protein-glutamine gamma-glutamyltransferase 2 (TG2)'   
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
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59188
PNG
(Dihydroisoxazole, 3e)
Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C24H22BrN3O4/c25-22-14-20(32-28-22)15-26-23(29)21(12-16-6-2-1-3-7-16)27-24(30)31-19-11-10-17-8-4-5-9-18(17)13-19/h1-11,13,20-21H,12,14-15H2,(H,26,29)(H,27,30)/t20?,21-/m0/s1
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PubMed
4.30E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59187
PNG
(Dihydroisoxazole, 3d)
Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCCc2ccccc2)C1
Show InChI InChI=1S/C22H24BrN3O4/c23-20-14-18(30-26-20)15-24-21(27)19(13-17-9-5-2-6-10-17)25-22(28)29-12-11-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,24,27)(H,25,28)/t18?,19-/m0/s1
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PubMed
6.10E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59186
PNG
(Dihydroisoxazole, 3c)
Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2cccnc2)C1
Show InChI InChI=1S/C19H19BrN4O4/c20-17-10-15(28-24-17)12-22-18(25)16(9-13-5-2-1-3-6-13)23-19(26)27-14-7-4-8-21-11-14/h1-8,11,15-16H,9-10,12H2,(H,22,25)(H,23,26)/t15?,16-/m0/s1
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PubMed
7.80E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59190
PNG
(Dihydroisoxazole, 4)
Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)OCC3=Cc4ccccc4S3(=O)=O)C(=O)NCC3CC(Br)=NO3)c2c1
Show InChI InChI=1S/C25H23BrN4O7S/c26-23-10-17(37-30-23)12-28-24(32)21(8-15-11-27-20-6-5-16(31)9-19(15)20)29-25(33)36-13-18-7-14-3-1-2-4-22(14)38(18,34)35/h1-7,9,11,17,21,27,31H,8,10,12-13H2,(H,28,32)(H,29,33)/t17?,21-/m0/s1
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PubMed
7.90E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59185
PNG
(Dihydroisoxazole, 3b)
Show SMILES Oc1ccc(C[C@H](NC(=O)Oc2ccncc2)C(=O)NCC2CC(Br)=NO2)cc1
Show InChI InChI=1S/C19H19BrN4O5/c20-17-10-15(29-24-17)11-22-18(26)16(9-12-1-3-13(25)4-2-12)23-19(27)28-14-5-7-21-8-6-14/h1-8,15-16,25H,9-11H2,(H,22,26)(H,23,27)/t15?,16-/m0/s1
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PubMed
8.10E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59189
PNG
(Dihydroisoxazole, 3f)
Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2=Cc3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C23H22BrN3O6S/c24-21-12-17(33-27-21)13-25-22(28)19(10-15-6-2-1-3-7-15)26-23(29)32-14-18-11-16-8-4-5-9-20(16)34(18,30)31/h1-9,11,17,19H,10,12-14H2,(H,25,28)(H,26,29)/t17?,19-/m0/s1
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PubMed
8.70E+4n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59177
PNG
(Dihydroisoxazole, 1e | Dihydroisoxazole, 1f)
Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1
Show InChI InChI=1S/C23H23BrN4O5/c24-21-10-17(33-28-21)12-26-22(30)20(27-23(31)32-13-14-4-2-1-3-5-14)8-15-11-25-19-7-6-16(29)9-18(15)19/h1-7,9,11,17,20,25,29H,8,10,12-13H2,(H,26,30)(H,27,31)/t17?,20-/m0/s1
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PubMed
1.10E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59179
PNG
(Dihydroisoxazole, 1g)
Show SMILES BrC1=NOC(CNC(=O)[C@H](CC(=O)NCc2ccccc2)NC(=O)OCc2ccccc2)C1
Show InChI InChI=1S/C23H25BrN4O5/c24-20-11-18(33-28-20)14-26-22(30)19(12-21(29)25-13-16-7-3-1-4-8-16)27-23(31)32-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,25,29)(H,26,30)(H,27,31)/t18?,19-/m0/s1
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PubMed
2.40E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59183
PNG
(Dihydroisoxazole, 2b)
Show SMILES CN(CC1CC(Br)=NO1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H24BrN3O4/c1-26(14-18-13-20(23)25-30-18)21(27)19(12-16-8-4-2-5-9-16)24-22(28)29-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28)/t18?,19-/m0/s1
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PubMed
2.60E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59180
PNG
(Dihydroisoxazole, 1h)
Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1
Show InChI InChI=1S/C21H22BrN3O4/c22-19-12-17(29-25-19)13-23-20(26)18(11-15-7-3-1-4-8-15)24-21(27)28-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,26)(H,24,27)/t17?,18-/m0/s1
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PubMed
3.10E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59177
PNG
(Dihydroisoxazole, 1e | Dihydroisoxazole, 1f)
Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1
Show InChI InChI=1S/C23H23BrN4O5/c24-21-10-17(33-28-21)12-26-22(30)20(27-23(31)32-13-14-4-2-1-3-5-14)8-15-11-25-19-7-6-16(29)9-18(15)19/h1-7,9,11,17,20,25,29H,8,10,12-13H2,(H,26,30)(H,27,31)/t17?,20-/m0/s1
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PubMed
3.10E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59176
PNG
(Dihydroisoxazole, 1d)
Show SMILES Fc1cccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)c1
Show InChI InChI=1S/C22H23BrFN3O4/c23-20-12-18(31-27-20)13-25-21(28)19(10-9-15-7-4-8-17(24)11-15)26-22(29)30-14-16-5-2-1-3-6-16/h1-8,11,18-19H,9-10,12-14H2,(H,25,28)(H,26,29)/t18?,19-/m0/s1
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PubMed
3.90E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59174
PNG
(Dihydroisoxazole, 1b)
Show SMILES Oc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1
Show InChI InChI=1S/C22H24BrN3O5/c23-20-12-18(31-26-20)13-24-21(28)19(11-8-15-6-9-17(27)10-7-15)25-22(29)30-14-16-4-2-1-3-5-16/h1-7,9-10,18-19,27H,8,11-14H2,(H,24,28)(H,25,29)/t18?,19-/m0/s1
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Article
PubMed
4.20E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59175
PNG
(Dihydroisoxazole, 1c)
Show SMILES Fc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1
Show InChI InChI=1S/C22H23BrFN3O4/c23-20-12-18(31-27-20)13-25-21(28)19(11-8-15-6-9-17(24)10-7-15)26-22(29)30-14-16-4-2-1-3-5-16/h1-7,9-10,18-19H,8,11-14H2,(H,25,28)(H,26,29)/t18?,19-/m0/s1
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PubMed
4.30E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59173
PNG
(Dihydroisoxazole, 1a)
Show SMILES BrC1=NOC(CNC(=O)[C@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C1
Show InChI InChI=1S/C22H24BrN3O4/c23-20-13-18(30-26-20)14-24-21(27)19(12-11-16-7-3-1-4-8-16)25-22(28)29-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,24,27)(H,25,28)/t18?,19-/m0/s1
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PubMed
7.40E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59181
PNG
(Dihydroisoxazole, 1i)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1
Show InChI InChI=1S/C15H18BrN3O4/c1-10(14(20)17-8-12-7-13(16)19-23-12)18-15(21)22-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,20)(H,18,21)/t10-,12?/m0/s1
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PubMed
9.10E+5n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59182
PNG
(Dihydroisoxazole, 2a)
Show SMILES BrC1=NOC(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1
Show InChI InChI=1S/C21H21BrN2O5/c22-19-12-17(29-24-19)14-27-20(25)18(11-15-7-3-1-4-8-15)23-21(26)28-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,26)/t17?,18-/m0/s1
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PubMed
1.30E+6n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM59184
PNG
(Dihydroisoxazole, 3a)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC(Br)=NO1
Show InChI InChI=1S/C15H18BrN3O3/c1-10(20)18-13(7-11-5-3-2-4-6-11)15(21)17-9-12-8-14(16)19-22-12/h2-6,12-13H,7-9H2,1H3,(H,17,21)(H,18,20)/t12?,13-/m0/s1
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PubMed
2.70E+6n/an/an/an/an/an/a7.2n/a



Stanford University



Assay Description
Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.


Chem Biol 12: 469-75 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.007
BindingDB Entry DOI: 10.7270/Q2XK8D0V
More data for this
Ligand-Target Pair