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PubMed code 26456735

Compile data set for download or QSAR
Found 83 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))		BDBM185167
PNG
((4-Methoxycarbonylphenyl)methyl 4-[2-[(2-bromoacet...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)CBr)cc1
Show InChI InChI=1S/C18H22BrN3O6/c1-27-17(25)14-4-2-13(3-5-14)12-28-18(26)22-8-6-21(7-9-22)16(24)11-20-15(23)10-19/h2-5H,6-12H2,1H3,(H,20,23)
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n/an/a 2.10n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a 3.90n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185175
PNG
(1-Adamantylmethyl 4-[2-[(2-bromoacetyl)amino]acety...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C20H30BrN3O4/c21-11-17(25)22-12-18(26)23-1-3-24(4-2-23)19(27)28-13-20-8-14-5-15(9-20)7-16(6-14)10-20/h14-16H,1-13H2,(H,22,25)
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n/an/a 6.29n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185166
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-chlo...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CCl)ccc2c1
Show InChI InChI=1S/C22H24ClN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a 6.65n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185171
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES ClCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C19H28ClN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a 8.75n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a 15n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185160
PNG
(2-Naphthylmethyl 4-[2-[(2-bromoacetyl)amino]acetyl...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H22BrN3O4/c21-12-18(25)22-13-19(26)23-7-9-24(10-8-23)20(27)28-14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11H,7-10,12-14H2,(H,22,25)
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n/an/a 29n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 125n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185180
PNG
([2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H27N3O4S/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)13(20)10-16-12(19)11-23(4)5/h6-11H2,1-5H3/p+1
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n/an/a 273n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185162
PNG
(2-Naphthylmethyl 4-[2-(prop-2-enoylamino)acetyl]pi...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H23N3O4/c1-2-19(25)22-14-20(26)23-9-11-24(12-10-23)21(27)28-15-16-7-8-17-5-3-4-6-18(17)13-16/h2-8,13H,1,9-12,14-15H2,(H,22,25)
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n/an/a 440n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a 775n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185174
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CS(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,24:19:26:23.25.22,24:23:26:20.19.18,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C19H29N3O4S/c1-2-27(25,26)20-13-17(23)21-3-5-22(6-4-21)18(24)19-10-14-7-15(11-19)9-16(8-14)12-19/h2,14-16,20H,1,3-13H2
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n/an/a 875n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a 889n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185179
PNG
(2-(1-Adamantyl)ethyl 4-[2-(prop-2-enoylamino)acety...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C22H33N3O4/c1-2-19(26)23-15-20(27)24-4-6-25(7-5-24)21(28)29-8-3-22-12-16-9-17(13-22)11-18(10-16)14-22/h2,16-18H,1,3-15H2,(H,23,26)
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n/an/a 900n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185161
PNG
(Dimethyl-[2-[[2-[4-(2-naphthylmethoxycarbonyl)pipe...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O4S/c1-30(2)16-20(26)23-14-21(27)24-9-11-25(12-10-24)22(28)29-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13H,9-12,14-16H2,1-2H3/p+1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185155
PNG
([2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-e...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H25N3O4S/c1-26(2)14-16(22)19-12-17(23)20-8-10-21(11-9-20)18(24)25-13-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/p+1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185164
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-(prop-2-...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23(30)20-7-6-18-12-17(4-5-19(18)13-20)15-33-24(31)27-10-8-26(9-11-27)22(29)14-25-21(28)16-34(2)3/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185158
PNG
(Benzyl 4-[2-(vinylsulfonylamino)acetyl]piperazine-...)
Show SMILES C=CS(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C16H21N3O5S/c1-2-25(22,23)17-12-15(20)18-8-10-19(11-9-18)16(21)24-13-14-6-4-3-5-7-14/h2-7,17H,1,8-13H2
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n/an/a 1.73E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM60582
PNG
([({2-[4-({[4-(Methoxycarbonyl)phenyl]methoxy}carbo...)
Show SMILES CC[S+](CC)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H29N3O4S/c1-3-28(4-2)16-18(24)21-14-19(25)22-10-12-23(13-11-22)20(26)27-15-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3/p+1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM60581
PNG
([2-[[2-[4-[(6-Methoxycarbonyl-2-naphthyl)methoxyca...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
Show InChI InChI=1S/C23H25N3O6/c1-3-20(27)24-14-21(28)25-8-10-26(11-9-25)23(30)32-15-16-4-5-18-13-19(22(29)31-2)7-6-17(18)12-16/h3-7,12-13H,1,8-11,14-15H2,2H3,(H,24,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185183
PNG
(2-(1-Adamantyl)ethyl 4-[2-[(2-bromoacetyl)amino]ac...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C21H32BrN3O4/c22-13-18(26)23-14-19(27)24-2-4-25(5-3-24)20(28)29-6-1-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,1-14H2,(H,23,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185178
PNG
([2-[[2-[4-[2-(1-Adamantyl)ethoxycarbonyl]piperazin...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:23.28.22,28:23:30:27.29.26,28:27:30:24.23.22,THB:24:23:29:30.25.26|
Show InChI InChI=1S/C23H37N3O4S/c1-31(2)16-20(27)24-15-21(28)25-4-6-26(7-5-25)22(29)30-8-3-23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,3-16H2,1-2H3/p+1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185168
PNG
([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185159
PNG
(Benzyl 4-[2-(prop-2-enoylamino)acetyl]piperazine-1...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H21N3O4/c1-2-15(21)18-12-16(22)19-8-10-20(11-9-19)17(23)24-13-14-6-4-3-5-7-14/h2-7H,1,8-13H2,(H,18,21)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185169
PNG
((4-Methoxycarbonylphenyl)methyl 4-[2-(prop-2-enoyl...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C=C)cc1
Show InChI InChI=1S/C19H23N3O6/c1-3-16(23)20-12-17(24)21-8-10-22(11-9-21)19(26)28-13-14-4-6-15(7-5-14)18(25)27-2/h3-7H,1,8-13H2,2H3,(H,20,23)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))		BDBM185182
PNG
([2-[[2-[4-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C[S+](C)C
Show InChI InChI=1S/C22H30N4O4S2/c1-24(2)19-9-5-8-18-17(19)7-6-10-20(18)32(29,30)26-13-11-25(12-14-26)22(28)15-23-21(27)16-31(3)4/h5-10H,11-16H2,1-4H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185183
PNG
(2-(1-Adamantyl)ethyl 4-[2-[(2-bromoacetyl)amino]ac...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C21H32BrN3O4/c22-13-18(26)23-14-19(27)24-2-4-25(5-3-24)20(28)29-6-1-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,1-14H2,(H,23,26)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185182
PNG
([2-[[2-[4-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C[S+](C)C
Show InChI InChI=1S/C22H30N4O4S2/c1-24(2)19-9-5-8-18-17(19)7-6-10-20(18)32(29,30)26-13-11-25(12-14-26)22(28)15-23-21(27)16-31(3)4/h5-10H,11-16H2,1-4H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185155
PNG
([2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-e...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H25N3O4S/c1-26(2)14-16(22)19-12-17(23)20-8-10-21(11-9-20)18(24)25-13-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185168
PNG
([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM60581
PNG
([2-[[2-[4-[(6-Methoxycarbonyl-2-naphthyl)methoxyca...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
Show InChI InChI=1S/C23H25N3O6/c1-3-20(27)24-14-21(28)25-8-10-26(11-9-25)23(30)32-15-16-4-5-18-13-19(22(29)31-2)7-6-17(18)12-16/h3-7,12-13H,1,8-11,14-15H2,2H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185161
PNG
(Dimethyl-[2-[[2-[4-(2-naphthylmethoxycarbonyl)pipe...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O4S/c1-30(2)16-20(26)23-14-21(27)24-9-11-25(12-10-24)22(28)29-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13H,9-12,14-16H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185164
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-(prop-2-...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23(30)20-7-6-18-12-17(4-5-19(18)13-20)15-33-24(31)27-10-8-26(9-11-27)22(29)14-25-21(28)16-34(2)3/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185168
PNG
([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185182
PNG
([2-[[2-[4-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C[S+](C)C
Show InChI InChI=1S/C22H30N4O4S2/c1-24(2)19-9-5-8-18-17(19)7-6-10-20(18)32(29,30)26-13-11-25(12-14-26)22(28)15-23-21(27)16-31(3)4/h5-10H,11-16H2,1-4H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185180
PNG
([2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H27N3O4S/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)13(20)10-16-12(19)11-23(4)5/h6-11H2,1-5H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM60581
PNG
([2-[[2-[4-[(6-Methoxycarbonyl-2-naphthyl)methoxyca...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
Show InChI InChI=1S/C23H25N3O6/c1-3-20(27)24-14-21(28)25-8-10-26(11-9-25)23(30)32-15-16-4-5-18-13-19(22(29)31-2)7-6-17(18)12-16/h3-7,12-13H,1,8-11,14-15H2,2H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185180
PNG
([2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H27N3O4S/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)13(20)10-16-12(19)11-23(4)5/h6-11H2,1-5H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))		BDBM185157
PNG
(Benzyl 4-[2-[[2-(1,3,4,5-tetramethylimidazol-1-ium...)
Show SMILES Cc1c(C)[n+](C)c(SCC(=O)NCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)n1C
Show InChI InChI=1S/C23H31N5O4S/c1-17-18(2)26(4)22(25(17)3)33-16-20(29)24-14-21(30)27-10-12-28(13-11-27)23(31)32-15-19-8-6-5-7-9-19/h5-9H,10-16H2,1-4H3/p+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185179
PNG
(2-(1-Adamantyl)ethyl 4-[2-(prop-2-enoylamino)acety...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C22H33N3O4/c1-2-19(26)23-15-20(27)24-4-6-25(7-5-24)21(28)29-8-3-22-12-16-9-17(13-22)11-18(10-16)14-22/h2,16-18H,1,3-15H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185162
PNG
(2-Naphthylmethyl 4-[2-(prop-2-enoylamino)acetyl]pi...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H23N3O4/c1-2-19(25)22-14-20(26)23-9-11-24(12-10-23)21(27)28-15-16-7-8-17-5-3-4-6-18(17)13-16/h2-8,13H,1,9-12,14-15H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185164
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-(prop-2-...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23(30)20-7-6-18-12-17(4-5-19(18)13-20)15-33-24(31)27-10-8-26(9-11-27)22(29)14-25-21(28)16-34(2)3/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185183
PNG
(2-(1-Adamantyl)ethyl 4-[2-[(2-bromoacetyl)amino]ac...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C21H32BrN3O4/c22-13-18(26)23-14-19(27)24-2-4-25(5-3-24)20(28)29-6-1-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,1-14H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185182
PNG
([2-[[2-[4-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C[S+](C)C
Show InChI InChI=1S/C22H30N4O4S2/c1-24(2)19-9-5-8-18-17(19)7-6-10-20(18)32(29,30)26-13-11-25(12-14-26)22(28)15-23-21(27)16-31(3)4/h5-10H,11-16H2,1-4H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185179
PNG
(2-(1-Adamantyl)ethyl 4-[2-(prop-2-enoylamino)acety...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C22H33N3O4/c1-2-19(26)23-15-20(27)24-4-6-25(7-5-24)21(28)29-8-3-22-12-16-9-17(13-22)11-18(10-16)14-22/h2,16-18H,1,3-15H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185155
PNG
([2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-e...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H25N3O4S/c1-26(2)14-16(22)19-12-17(23)20-8-10-21(11-9-20)18(24)25-13-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185161
PNG
(Dimethyl-[2-[[2-[4-(2-naphthylmethoxycarbonyl)pipe...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O4S/c1-30(2)16-20(26)23-14-21(27)24-9-11-25(12-10-24)22(28)29-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13H,9-12,14-16H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185161
PNG
(Dimethyl-[2-[[2-[4-(2-naphthylmethoxycarbonyl)pipe...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O4S/c1-30(2)16-20(26)23-14-21(27)24-9-11-25(12-10-24)22(28)29-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13H,9-12,14-16H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185162
PNG
(2-Naphthylmethyl 4-[2-(prop-2-enoylamino)acetyl]pi...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H23N3O4/c1-2-19(25)22-14-20(26)23-9-11-24(12-10-23)21(27)28-15-16-7-8-17-5-3-4-6-18(17)13-16/h2-8,13H,1,9-12,14-15H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185180
PNG
([2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H27N3O4S/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)13(20)10-16-12(19)11-23(4)5/h6-11H2,1-5H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185164
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-(prop-2-...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23(30)20-7-6-18-12-17(4-5-19(18)13-20)15-33-24(31)27-10-8-26(9-11-27)22(29)14-25-21(28)16-34(2)3/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185168
PNG
([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM60581
PNG
([2-[[2-[4-[(6-Methoxycarbonyl-2-naphthyl)methoxyca...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
Show InChI InChI=1S/C23H25N3O6/c1-3-20(27)24-14-21(28)25-8-10-26(11-9-25)23(30)32-15-16-4-5-18-13-19(22(29)31-2)7-6-17(18)12-16/h3-7,12-13H,1,8-11,14-15H2,2H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))		BDBM185155
PNG
([2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-e...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H25N3O4S/c1-26(2)14-16(22)19-12-17(23)20-8-10-21(11-9-20)18(24)25-13-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185179
PNG
(2-(1-Adamantyl)ethyl 4-[2-(prop-2-enoylamino)acety...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
Show InChI InChI=1S/C22H33N3O4/c1-2-19(26)23-15-20(27)24-4-6-25(7-5-24)21(28)29-8-3-22-12-16-9-17(13-22)11-18(10-16)14-22/h2,16-18H,1,3-15H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185162
PNG
(2-Naphthylmethyl 4-[2-(prop-2-enoylamino)acetyl]pi...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H23N3O4/c1-2-19(25)22-14-20(26)23-9-11-24(12-10-23)21(27)28-15-16-7-8-17-5-3-4-6-18(17)13-16/h2-8,13H,1,9-12,14-15H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))		BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))		BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...

Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%