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PubMed code 26004580

Compile data set for download or QSAR
Found 5 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
Protein-glutamine gamma-glutamyltransferase 2


(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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Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2015.05.006
BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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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Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2015.05.006
BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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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Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2015.05.006
BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50342582
PNG
((E)-4-chloro-3-(2-(4-chlorophenyl)-2-oxoethylidene...)
Show SMILES Clc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
Show InChI InChI=1S/C16H9Cl2NO2/c17-10-6-4-9(5-7-10)14(20)8-11-15-12(18)2-1-3-13(15)19-16(11)21/h1-8H,(H,19,21)/b11-8+
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Article
PubMed
4.70E+4n/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)


Article DOI: 10.1016/j.bmcl.2015.05.006
BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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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Purchase

CHEMBL
PC cid
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UniChem

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Article
PubMed
8.60E+4n/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)


Article DOI: 10.1016/j.bmcl.2015.05.006
BindingDB Entry DOI: 10.7270/Q2W95C07
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%