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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50040820   
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))
BDBM50400621
PNG
(CHEMBL2203451)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400626
PNG
(CHEMBL2203467)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H35N3O4/c1-2-26(32)29-18-10-9-15-25(30-28(34)35-21-22-11-5-3-6-12-22)27(33)31-19-16-24(17-20-31)23-13-7-4-8-14-23/h2-8,11-14,24-25H,1,9-10,15-21H2,(H,29,32)(H,30,34)/t25-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400633
PNG
(CHEMBL2203473)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O4/c1-3-25(33)28-15-8-7-13-23(30-27(35)36-20-22-11-5-4-6-12-22)26(34)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,35)/t23-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400636
PNG
(CHEMBL2203470)
Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H35ClN4O5/c1-3-26(34)30-14-8-7-11-23(31-28(36)38-20-21-9-5-4-6-10-21)27(35)33-17-15-32(16-18-33)24-19-22(29)12-13-25(24)37-2/h3-6,9-10,12-13,19,23H,1,7-8,11,14-18,20H2,2H3,(H,30,34)(H,31,36)/t23-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400630
PNG
(CHEMBL2203457)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32F3N5O4/c1-2-24(36)31-13-7-6-10-22(33-26(38)39-19-20-8-4-3-5-9-20)25(37)35-16-14-34(15-17-35)23-12-11-21(18-32-23)27(28,29)30/h2-5,8-9,11-12,18,22H,1,6-7,10,13-17,19H2,(H,31,36)(H,33,38)/t22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400631
PNG
(CHEMBL2203475)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32F3N5O4/c1-2-23(36)31-13-7-6-12-22(33-26(38)39-19-20-9-4-3-5-10-20)25(37)35-17-15-34(16-18-35)24-21(27(28,29)30)11-8-14-32-24/h2-5,8-11,14,22H,1,6-7,12-13,15-19H2,(H,31,36)(H,33,38)/t22-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400632
PNG
(CHEMBL2203474)
Show SMILES Cc1cccnc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O4/c1-3-24(33)28-14-8-7-13-23(30-27(35)36-20-22-11-5-4-6-12-22)26(34)32-18-16-31(17-19-32)25-21(2)10-9-15-29-25/h3-6,9-12,15,23H,1,7-8,13-14,16-20H2,2H3,(H,28,33)(H,30,35)/t23-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400622
PNG
(CHEMBL2203452)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)c1cccc(C)n1 |r|
Show InChI InChI=1S/C21H31N5O3/c1-4-20(28)22-11-6-5-9-18(24-17(3)27)21(29)26-14-12-25(13-15-26)19-10-7-8-16(2)23-19/h4,7-8,10,18H,1,5-6,9,11-15H2,2-3H3,(H,22,28)(H,24,27)/t18-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400620
PNG
(CHEMBL2203450)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H33N5O3/c1-3-24(32)27-15-8-7-13-22(29-25(33)21-11-5-4-6-12-21)26(34)31-18-16-30(17-19-31)23-14-9-10-20(2)28-23/h3-6,9-12,14,22H,1,7-8,13,15-19H2,2H3,(H,27,32)(H,29,33)/t22-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400635
PNG
(CHEMBL2203471)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H36N4O4/c1-2-29(36)32-17-9-8-14-28(33-31(38)39-23-24-10-4-3-5-11-24)30(37)35-20-18-34(19-21-35)27-16-15-25-12-6-7-13-26(25)22-27/h2-7,10-13,15-16,22,28H,1,8-9,14,17-21,23H2,(H,32,36)(H,33,38)/t28-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400638
PNG
(CHEMBL2203466)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C25H29N3O4/c1-2-23(29)26-15-9-8-14-22(27-25(31)32-18-19-10-4-3-5-11-19)24(30)28-16-20-12-6-7-13-21(20)17-28/h2-7,10-13,22H,1,8-9,14-18H2,(H,26,29)(H,27,31)/t22-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400634
PNG
(CHEMBL2203472)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1 |r|
Show InChI InChI=1S/C26H33N5O4/c1-2-24(32)28-15-8-6-12-22(29-26(34)35-20-21-10-4-3-5-11-21)25(33)31-18-16-30(17-19-31)23-13-7-9-14-27-23/h2-5,7,9-11,13-14,22H,1,6,8,12,15-20H2,(H,28,32)(H,29,34)/t22-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400642
PNG
(CHEMBL2203462)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H29N3O4/c1-2-19(25)22-13-7-6-12-18(20(26)24-14-8-9-15-24)23-21(27)28-16-17-10-4-3-5-11-17/h2-5,10-11,18H,1,6-9,12-16H2,(H,22,25)(H,23,27)/t18-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400640
PNG
(CHEMBL2203464)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCCC1 |r|
Show InChI InChI=1S/C23H33N3O4/c1-2-21(27)24-15-9-8-14-20(22(28)26-16-10-3-4-11-17-26)25-23(29)30-18-19-12-6-5-7-13-19/h2,5-7,12-13,20H,1,3-4,8-11,14-18H2,(H,24,27)(H,25,29)/t20-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400637
PNG
(CHEMBL2203468)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H32N4O4/c1-3-20(27)23-12-8-7-11-19(21(28)26-15-13-25(2)14-16-26)24-22(29)30-17-18-9-5-4-6-10-18/h3-6,9-10,19H,1,7-8,11-17H2,2H3,(H,23,27)(H,24,29)/t19-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400639
PNG
(CHEMBL2203465)
Show SMILES FC1(F)CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H29F2N3O4/c1-2-19(28)25-13-7-6-10-18(20(29)27-14-11-22(23,24)12-15-27)26-21(30)31-16-17-8-4-3-5-9-17/h2-5,8-9,18H,1,6-7,10-16H2,(H,25,28)(H,26,30)/t18-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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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n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400624
PNG
(CHEMBL2203454)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H37N5O4/c1-6-21(30)25-13-8-7-11-19(27-23(32)33-24(3,4)5)22(31)29-16-14-28(15-17-29)20-12-9-10-18(2)26-20/h6,9-10,12,19H,1,7-8,11,13-17H2,2-5H3,(H,25,30)(H,27,32)/t19-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400646
PNG
(CHEMBL2203493)
Show SMILES CN(C)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O4/c1-4-17(23)20-13-9-8-12-16(18(24)22(2)3)21-19(25)26-14-15-10-6-5-7-11-15/h4-7,10-11,16H,1,8-9,12-14H2,2-3H3,(H,20,23)(H,21,25)/t16-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400643
PNG
(CHEMBL2203461)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H31N3O4/c1-2-20(26)23-14-8-7-13-19(21(27)25-15-9-4-10-16-25)24-22(28)29-17-18-11-5-3-6-12-18/h2-3,5-6,11-12,19H,1,4,7-10,13-17H2,(H,23,26)(H,24,28)/t19-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400645
PNG
(CHEMBL2203459)
Show SMILES CCN(CC)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-4-19(25)22-15-11-10-14-18(20(26)24(5-2)6-3)23-21(27)28-16-17-12-8-7-9-13-17/h4,7-9,12-13,18H,1,5-6,10-11,14-16H2,2-3H3,(H,22,25)(H,23,27)/t18-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400623
PNG
(CHEMBL2203453)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H35N5O3/c1-3-28(36)31-16-7-6-12-26(33-29(37)25-15-14-23-10-4-5-11-24(23)21-25)30(38)35-19-17-34(18-20-35)27-13-8-9-22(2)32-27/h3-5,8-11,13-15,21,26H,1,6-7,12,16-20H2,2H3,(H,31,36)(H,33,37)/t26-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400627
PNG
(CHEMBL2203455)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@@H]1CC(CCNC(=O)C=C)CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C25H37N5O4/c1-6-22(31)26-11-10-19-16-20(30(17-19)24(33)34-25(3,4)5)23(32)29-14-12-28(13-15-29)21-9-7-8-18(2)27-21/h6-9,19-20H,1,10-17H2,2-5H3,(H,26,31)/t19?,20-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400658
PNG
(CHEMBL2203481)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1Cl |r|
Show InChI InChI=1S/C17H21ClN2O5/c1-2-15(21)19-10-6-5-9-14(16(22)23)20-17(24)25-11-12-7-3-4-8-13(12)18/h2-4,7-8,14H,1,5-6,9-11H2,(H,19,21)(H,20,24)(H,22,23)/t14-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400641
PNG
(CHEMBL2203463)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C20H27N3O4/c1-2-18(24)21-12-7-6-11-17(19(25)23-13-8-14-23)22-20(26)27-15-16-9-4-3-5-10-16/h2-5,9-10,17H,1,6-8,11-15H2,(H,21,24)(H,22,26)/t17-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400618
PNG
(CHEMBL2203477)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O5/c1-2-15(20)18-11-7-6-10-14(16(21)22)19-17(23)24-12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2,(H,18,20)(H,19,23)(H,21,22)/t14-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400619
PNG
(CHEMBL2203476)
Show SMILES CC(C)(C)OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H33N3O6/c1-5-19(27)24-14-10-9-13-18(21(29)25-15-20(28)32-23(2,3)4)26-22(30)31-16-17-11-7-6-8-12-17/h5-8,11-12,18H,1,9-10,13-16H2,2-4H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400657
PNG
(CHEMBL2203482)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O5/c1-2-15(24)22-10-6-5-9-14(16(25)26)23-17(27)28-11-12-7-3-4-8-13(12)18(19,20)21/h2-4,7-8,14H,1,5-6,9-11H2,(H,22,24)(H,23,27)(H,25,26)/t14-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400661
PNG
(CHEMBL2203478)
Show SMILES OC[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C17H24N2O4/c1-2-16(21)18-11-7-6-10-15(12-20)19-17(22)23-13-14-8-4-3-5-9-14/h2-5,8-9,15,20H,1,6-7,10-13H2,(H,18,21)(H,19,22)/t15-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400651
PNG
(CHEMBL2203488)
Show SMILES CCCCc1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H30N2O5/c1-3-5-8-16-10-12-17(13-11-16)15-28-21(27)23-18(20(25)26)9-6-7-14-22-19(24)4-2/h4,10-13,18H,2-3,5-9,14-15H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t18-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Mus musculus)
BDBM50400619
PNG
(CHEMBL2203476)
Show SMILES CC(C)(C)OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H33N3O6/c1-5-19(27)24-14-10-9-13-18(21(29)25-15-20(28)32-23(2,3)4)26-22(30)31-16-17-11-7-6-8-12-17/h5-8,11-12,18H,1,9-10,13-16H2,2-4H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400660
PNG
(CHEMBL2203479)
Show SMILES C=CC(=O)NCCCCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H22N2O3/c1-2-15(19)17-11-7-4-8-12-18-16(20)21-13-14-9-5-3-6-10-14/h2-3,5-6,9-10H,1,4,7-8,11-13H2,(H,17,19)(H,18,20)
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n/an/a 7.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400653
PNG
(CHEMBL2203486)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H21FN2O5/c1-2-15(21)19-10-4-3-5-14(16(22)23)20-17(24)25-11-12-6-8-13(18)9-7-12/h2,6-9,14H,1,3-5,10-11H2,(H,19,21)(H,20,24)(H,22,23)/t14-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400647
PNG
(CHEMBL2203492)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H24N2O5/c1-2-19(24)22-12-6-5-9-18(20(25)26)23-21(27)28-14-15-10-11-16-7-3-4-8-17(16)13-15/h2-4,7-8,10-11,13,18H,1,5-6,9,12,14H2,(H,22,24)(H,23,27)(H,25,26)/t18-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))
BDBM50400626
PNG
(CHEMBL2203467)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H35N3O4/c1-2-26(32)29-18-10-9-15-25(30-28(34)35-21-22-11-5-3-6-12-22)27(33)31-19-16-24(17-20-31)23-13-7-4-8-14-23/h2-8,11-14,24-25H,1,9-10,15-21H2,(H,29,32)(H,30,34)/t25-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 1


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400649
PNG
(CHEMBL2203490)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1c(F)cccc1F |r|
Show InChI InChI=1S/C17H20F2N2O5/c1-2-15(22)20-9-4-3-8-14(16(23)24)21-17(25)26-10-11-12(18)6-5-7-13(11)19/h2,5-7,14H,1,3-4,8-10H2,(H,20,22)(H,21,25)(H,23,24)/t14-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400656
PNG
(CHEMBL2203483)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O5/c1-2-15(24)22-9-4-3-8-14(16(25)26)23-17(27)28-11-12-6-5-7-13(10-12)18(19,20)21/h2,5-7,10,14H,1,3-4,8-9,11H2,(H,22,24)(H,23,27)(H,25,26)/t14-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(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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n/an/a 1.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 1


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400652
PNG
(CHEMBL2203487)
Show SMILES Cc1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H24N2O5/c1-3-16(21)19-11-5-4-6-15(17(22)23)20-18(24)25-12-14-9-7-13(2)8-10-14/h3,7-10,15H,1,4-6,11-12H2,2H3,(H,19,21)(H,20,24)(H,22,23)/t15-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400648
PNG
(CHEMBL2203491)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C21H24N2O5/c1-2-19(24)22-13-6-5-12-18(20(25)26)23-21(27)28-14-16-10-7-9-15-8-3-4-11-17(15)16/h2-4,7-11,18H,1,5-6,12-14H2,(H,22,24)(H,23,27)(H,25,26)/t18-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))
BDBM50400621
PNG
(CHEMBL2203451)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 1


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50400626
PNG
(CHEMBL2203467)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H35N3O4/c1-2-26(32)29-18-10-9-15-25(30-28(34)35-21-22-11-5-3-6-12-22)27(33)31-19-16-24(17-20-31)23-13-7-4-8-14-23/h2-8,11-14,24-25H,1,9-10,15-21H2,(H,29,32)(H,30,34)/t25-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor 13a


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400650
PNG
(CHEMBL2203489)
Show SMILES CC(C)(C)c1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H30N2O5/c1-5-18(24)22-13-7-6-8-17(19(25)26)23-20(27)28-14-15-9-11-16(12-10-15)21(2,3)4/h5,9-12,17H,1,6-8,13-14H2,2-4H3,(H,22,24)(H,23,27)(H,25,26)/t17-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400655
PNG
(CHEMBL2203484)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O5/c1-2-15(24)22-10-4-3-5-14(16(25)26)23-17(27)28-11-12-6-8-13(9-7-12)18(19,20)21/h2,6-9,14H,1,3-5,10-11H2,(H,22,24)(H,23,27)(H,25,26)/t14-/m0/s1
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PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50400621
PNG
(CHEMBL2203451)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor 13a


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50400654
PNG
(CHEMBL2203485)
Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H21N3O7/c1-2-15(21)18-10-4-3-5-14(16(22)23)19-17(24)27-11-12-6-8-13(9-7-12)20(25)26/h2,6-9,14H,1,3-5,10-11H2,(H,18,21)(H,19,24)(H,22,23)/t14-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Irreversible inhibition of transglutaminase 2


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(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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n/an/a 6.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor 13a


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(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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n/an/a 6.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 6


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))
BDBM50400619
PNG
(CHEMBL2203476)
Show SMILES CC(C)(C)OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H33N3O6/c1-5-19(27)24-14-10-9-13-18(21(29)25-15-20(28)32-23(2,3)4)26-22(30)31-16-17-11-7-6-8-12-17/h5-8,11-12,18H,1,9-10,13-16H2,2-4H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 3


ACS Med Chem Lett 3: 1024-1028 (2012)


Article DOI: 10.1021/ml300241m
BindingDB Entry DOI: 10.7270/Q2TB1823
More data for this
Ligand-Target Pair
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