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Compile Data Set for Download or QSAR

Found 556 hits Enz. Inhib. hit(s) 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))
BDBM50342570
PNG
((E)-4-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1cccc2NC(=O)\C(=C\C(=O)c3cccnc3)c12
Show InChI InChI=1S/C15H9BrN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+
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250n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342570
PNG
((E)-4-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1cccc2NC(=O)\C(=C\C(=O)c3cccnc3)c12
Show InChI InChI=1S/C15H9BrN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+
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400n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342568
PNG
((E)-1-benzyl-4-chloro-3-(2-oxo-2-(pyridin-3-yl)eth...)
Show SMILES Clc1cccc2N(Cc3ccccc3)C(=O)\C(=C\C(=O)c3cccnc3)c12
Show InChI InChI=1S/C22H15ClN2O2/c23-18-9-4-10-19-21(18)17(12-20(26)16-8-5-11-24-13-16)22(27)25(19)14-15-6-2-1-3-7-15/h1-13H,14H2/b17-12+
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410n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342571
PNG
((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+
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680n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342562
PNG
((E)-4-chloro-3-(2-oxopropylidene)indolin-2-one | C...)
Show SMILES CC(=O)C=C1C(=O)Nc2cccc(Cl)c12 |w:3.2|
Show InChI InChI=1S/C11H8ClNO2/c1-6(14)5-7-10-8(12)3-2-4-9(10)13-11(7)15/h2-5H,1H3,(H,13,15)
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700n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342563
PNG
((E)-5-chloro-3-(2-oxopropylidene)indolin-2-one | C...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccc(Cl)cc12 |w:3.2|
Show InChI InChI=1S/C11H8ClNO2/c1-6(14)4-9-8-5-7(12)2-3-10(8)13-11(9)15/h2-5H,1H3,(H,13,15)
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900n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342568
PNG
((E)-1-benzyl-4-chloro-3-(2-oxo-2-(pyridin-3-yl)eth...)
Show SMILES Clc1cccc2N(Cc3ccccc3)C(=O)\C(=C\C(=O)c3cccnc3)c12
Show InChI InChI=1S/C22H15ClN2O2/c23-18-9-4-10-19-21(18)17(12-20(26)16-8-5-11-24-13-16)22(27)25(19)14-15-6-2-1-3-7-15/h1-13H,14H2/b17-12+
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1.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342565
PNG
((E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)i...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3cccnc3)c12
Show InChI InChI=1S/C15H9ClN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+
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1.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200152
PNG
(CHEMBL219427 | quinolin-3-ylmethyl (S)-1-(((S)-3-b...)
Show SMILES Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NC[C@@H]3CC(Br)=NO3)c2c1 |r,c:34|
Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)/t19-,23-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342571
PNG
((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+
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3.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342557
PNG
(5,5'-oxydiindoline-2,3-dione | CHEMBL1770389)
Show SMILES O=C1Nc2ccc(Oc3ccc4NC(=O)C(=O)c4c3)cc2C1=O
Show InChI InChI=1S/C16H8N2O5/c19-13-9-5-7(1-3-11(9)17-15(13)21)23-8-2-4-12-10(6-8)14(20)16(22)18-12/h1-6H,(H,17,19,21)(H,18,20,22)
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3.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342583
PNG
((E)-4-chloro-3-(2-(2-methoxyphenyl)-2-oxoethyliden...)
Show SMILES COc1ccccc1C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
Show InChI InChI=1S/C17H12ClNO3/c1-22-15-8-3-2-5-10(15)14(20)9-11-16-12(18)6-4-7-13(16)19-17(11)21/h2-9H,1H3,(H,19,21)/b11-9+
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3.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human TG2 V224 mutant deamidation activity using Cbz-Gln-Gly as substrate preincubated for 30 mins followed...


Bioorg Med Chem Lett 25: 4922-6 (2015)


BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342566
PNG
((E)-4-chloro-3-(2-oxo-2-phenylethylidene)indolin-2...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12
Show InChI InChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)/b11-9+
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3.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342567
PNG
((E)-4-chloro-1-methyl-3-(2-oxo-2-(pyridin-3-yl)eth...)
Show SMILES CN1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
Show InChI InChI=1S/C16H11ClN2O2/c1-19-13-6-2-5-12(17)15(13)11(16(19)21)8-14(20)10-4-3-7-18-9-10/h2-9H,1H3/b11-8+
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4.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200155
PNG
((S)-quinolin-3-ylmethyl 1-((3-bromo-4,5-dihydroiso...)
Show SMILES Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:34|
Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)/t19?,23-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342553
PNG
((E)-6-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)i...)
Show SMILES Clc1ccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc2c1
Show InChI InChI=1S/C15H9ClN2O2/c16-10-3-4-11-12(15(20)18-13(11)6-10)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+
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5.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342564
PNG
((E)-6-fluoro-3-(2-oxopropylidene)indolin-2-one | C...)
Show SMILES CC(=O)C=C1C(=O)Nc2cc(F)ccc12 |w:3.2|
Show InChI InChI=1S/C11H8FNO2/c1-6(14)4-9-8-3-2-7(12)5-10(8)13-11(9)15/h2-5H,1H3,(H,13,15)
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5.40E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241226
PNG
(CHEMBL4079863)
PDB
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6.40E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241220
PNG
(CHEMBL4062721)
PDB
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6.70E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241237
PNG
(CHEMBL4084407)
PDB
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8.80E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241228
PNG
(CHEMBL4093689)
PDB
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8.90E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241225
PNG
(CHEMBL4067612)
PDB
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9.10E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342590
PNG
((E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-...)
Show SMILES Clc1cccc2N(C(=O)\C(=C\C(=O)c3cccnc3)c12)c1ccccc1
Show InChI InChI=1S/C21H13ClN2O2/c22-17-9-4-10-18-20(17)16(12-19(25)14-6-5-11-23-13-14)21(26)24(18)15-7-2-1-3-8-15/h1-13H/b16-12+
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9.10E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human TG2 V224 mutant deamidation activity using Cbz-Gln-Gly as substrate preincubated for 30 mins followed...


Bioorg Med Chem Lett 25: 4922-6 (2015)


BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342560
PNG
(1,1'-methylenediindoline-2,3-dione | CHEMBL1770393)
Show SMILES O=C1N(CN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
Show InChI InChI=1S/C17H10N2O4/c20-14-10-5-1-3-7-12(10)18(16(14)22)9-19-13-8-4-2-6-11(13)15(21)17(19)23/h1-8H,9H2
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1.00E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
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1.00E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241219
PNG
(CHEMBL4061658)
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1.04E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241224
PNG
(CHEMBL4092161)
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1.10E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200156
PNG
((S)-quinolin-3-ylmethyl 2-((((S)-3-bromo-4,5-dihyd...)
Show SMILES BrC1=NO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2cnc3ccccc3c2)C1 |r,t:1|
Show InChI InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342559
PNG
(1,1'-(4,6-dimethyl-1,3-phenylene)bis(methylene)dii...)
Show SMILES Cc1cc(C)c(CN2C(=O)C(=O)c3ccccc23)cc1CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C26H20N2O4/c1-15-11-16(2)18(14-28-22-10-6-4-8-20(22)24(30)26(28)32)12-17(15)13-27-21-9-5-3-7-19(21)23(29)25(27)31/h3-12H,13-14H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241234
PNG
(CHEMBL4104504)
PDB
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1.12E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342569
PNG
((E)-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C15H10N2O2/c18-14(10-4-3-7-16-9-10)8-12-11-5-1-2-6-13(11)17-15(12)19/h1-9H,(H,17,19)/b12-8+
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1.20E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241218
PNG
(CHEMBL4103395)
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1.29E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241239
PNG
(CHEMBL4072990)
PDB
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1.34E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241223
PNG
(CHEMBL4071367)
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1.47E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342558
PNG
(5,5'-methylenediindoline-2,3-dione | CHEMBL1770390)
Show SMILES O=C1Nc2ccc(Cc3ccc4NC(=O)C(=O)c4c3)cc2C1=O
Show InChI InChI=1S/C17H10N2O4/c20-14-10-6-8(1-3-12(10)18-16(14)22)5-9-2-4-13-11(7-9)15(21)17(23)19-13/h1-4,6-7H,5H2,(H,18,20,22)(H,19,21,23)
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1.50E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50400625
PNG
(CHEMBL2203469)
Show SMILES Clc1ccccc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H33ClN4O4/c1-2-25(33)29-15-9-8-13-23(30-27(35)36-20-21-10-4-3-5-11-21)26(34)32-18-16-31(17-19-32)24-14-7-6-12-22(24)28/h2-7,10-12,14,23H,1,8-9,13,15-20H2,(H,29,33)(H,30,35)/t23-/m0/s1
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1.74E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200145
PNG
(CHEMBL375426 | quinolin-3-ylmethyl 1-((3-bromo-4,5...)
Show SMILES Fc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:34|
Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)
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1.80E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200154
PNG
(CHEMBL220137 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...)
Show SMILES Fc1ccc2c(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c[nH]c2c1 |c:27|
Show InChI InChI=1S/C23H22BrFN4O4/c24-21-10-17(33-29-21)12-27-22(30)20(28-23(31)32-13-14-4-2-1-3-5-14)8-15-11-26-19-9-16(25)6-7-18(15)19/h1-7,9,11,17,20,26H,8,10,12-13H2,(H,27,30)(H,28,31)
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1.80E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200149
PNG
(CHEMBL219013 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...)
Show SMILES Fc1ccc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:29|
Show InChI InChI=1S/C23H22BrFN4O4/c24-21-10-17(33-29-21)12-27-22(30)20(28-23(31)32-13-14-4-2-1-3-5-14)8-15-11-26-19-7-6-16(25)9-18(15)19/h1-7,9,11,17,20,26H,8,10,12-13H2,(H,27,30)(H,28,31)
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1.90E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241230
PNG
(CHEMBL4064406)
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2.00E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200147
PNG
(CHEMBL410077 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...)
Show SMILES BrC1=NOC(CNC(=O)C(Cc2c[nH]c3ncccc23)NC(=O)OCc2ccccc2)C1 |t:1|
Show InChI InChI=1S/C22H22BrN5O4/c23-19-10-16(32-28-19)12-26-21(29)18(9-15-11-25-20-17(15)7-4-8-24-20)27-22(30)31-13-14-5-2-1-3-6-14/h1-8,11,16,18H,9-10,12-13H2,(H,24,25)(H,26,29)(H,27,30)
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2.20E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241232
PNG
(CHEMBL4097427)
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2.34E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241216
PNG
(CHEMBL4079148)
PDB
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2.35E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM81791
PNG
(Dopamine + GPP(NH)p | GPP(NH)P(+) | GPP(NH)p(-) | ...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human TG2 V224 mutant deamidation activity using Cbz-Gln-Gly as substrate preincubated for 30 mins followed by ...


Bioorg Med Chem Lett 25: 4922-6 (2015)


BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241241
PNG
(CHEMBL4102452)
PDB
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2.71E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50400644
PNG
(CHEMBL2203460)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C21H29N3O5/c1-2-19(25)22-11-7-6-10-18(20(26)24-12-14-28-15-13-24)23-21(27)29-16-17-8-4-3-5-9-17/h2-5,8-9,18H,1,6-7,10-16H2,(H,22,25)(H,23,27)/t18-/m0/s1
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2.89E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50200151
PNG
(CHEMBL374790 | quinolin-3-ylmethyl (S)-1-(((S)-3-b...)
Show SMILES Oc1ccc(C[C@H](NC(=O)OCc2cnc3ccccc3c2)C(=O)NC[C@@H]2CC(Br)=NO2)cc1 |r,c:31|
Show InChI InChI=1S/C24H23BrN4O5/c25-22-11-19(34-29-22)13-27-23(31)21(10-15-5-7-18(30)8-6-15)28-24(32)33-14-16-9-17-3-1-2-4-20(17)26-12-16/h1-9,12,19,21,30H,10-11,13-14H2,(H,27,31)(H,28,32)/t19-,21-/m0/s1
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Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241215
PNG
(CHEMBL4084496)
PDB
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PubMed
3.05E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241231
PNG
(CHEMBL4102329)
PDB
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PubMed
3.21E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50241217
PNG
(CHEMBL4099998)
PDB
MMDB

KEGG

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Article
PubMed
3.39E+4n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL




J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
More data for this
Ligand-Target Pair
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