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Compile Data Set for Download or QSAR

Found 221 hits of ki data for polymerid = 4739,50006145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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)
PDB
MMDB

KEGG

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150n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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

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PubMed
250n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
CHEMBL5276449
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
300n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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

KEGG

UniProtKB/SwissProt

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400n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


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


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


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


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



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50603651
PNG
(CHEMBL5172363)
Show SMILES Clc1ccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)cc1Cl |r|
PDB
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KEGG

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Article
PubMed
580n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


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


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


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


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



Stanford University

Curated by ChEMBL


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


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


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


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



Stanford University

Curated by ChEMBL


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


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


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


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



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
CHEMBL5282531
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
UniChem
1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50603645
PNG
(CHEMBL5201753)
Show SMILES Clc1cccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50603644
PNG
(CHEMBL5207990)
Show SMILES Fc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
PDB
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KEGG

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UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli


J Med Chem 49: 7493-501 (2006)


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


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



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
CHEMBL5270319
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
1.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5286079
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
1.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5280429
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
1.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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)
PDB
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KEGG

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Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(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)
PDB
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Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00382h
BindingDB Entry DOI: 10.7270/Q23F4TMJ
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5266794
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
UniChem
1.60E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5290129
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
1.95E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461625
PNG
(CHEMBL4228924)
Show SMILES [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r|
Show InChI InChI=1S/C26H31FN6O5/c1-2-24(34)28-13-6-5-10-21(29-25(35)18-19-8-3-4-9-20(19)27)26(36)32-16-14-31(15-17-32)22-11-7-12-23(30-22)33(37)38/h2-4,7-9,11-12,21H,1,5-6,10,13-18H2,(H,28,34)(H,29,35)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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1.98E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5281708
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
2.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461612
PNG
(CHEMBL4227301)
Show SMILES [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H32N6O5/c1-2-24(33)27-14-7-6-11-21(28-25(34)19-20-9-4-3-5-10-20)26(35)31-17-15-30(16-18-31)22-12-8-13-23(29-22)32(36)37/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,27,33)(H,28,34)/t21-/m0/s1
PDB
MMDB

KEGG

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UniChem
Article
PubMed
2.26E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5273187
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
2.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5279745
PNG
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
2.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5268027
PNG
PDB
MMDB

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2.32E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461615
PNG
(CHEMBL4228875)
Show SMILES [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H32N6O5/c1-2-24(33)27-13-7-6-10-22(29-25(34)18-20-8-4-3-5-9-20)26(35)31-16-14-30(15-17-31)21-11-12-23(28-19-21)32(36)37/h2-5,8-9,11-12,19,22H,1,6-7,10,13-18H2,(H,27,33)(H,29,34)/t22-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461615
PNG
(CHEMBL4228875)
Show SMILES [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H32N6O5/c1-2-24(33)27-13-7-6-10-22(29-25(34)18-20-8-4-3-5-9-20)26(35)31-16-14-30(15-17-31)21-11-12-23(28-19-21)32(36)37/h2-5,8-9,11-12,19,22H,1,6-7,10,13-18H2,(H,27,33)(H,29,34)/t22-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461619
PNG
(CHEMBL4224727)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O5/c1-2-25(33)28-15-7-6-10-24(29-26(34)20-21-8-4-3-5-9-21)27(35)31-18-16-30(17-19-31)22-11-13-23(14-12-22)32(36)37/h2-5,8-9,11-14,24H,1,6-7,10,15-20H2,(H,28,33)(H,29,34)/t24-/m0/s1
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2.52E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461617
PNG
(CHEMBL4229073)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncc1 |r|
Show InChI InChI=1S/C26H33N5O3/c1-2-24(32)28-13-7-6-10-23(29-25(33)20-21-8-4-3-5-9-21)26(34)31-18-16-30(17-19-31)22-11-14-27-15-12-22/h2-5,8-9,11-12,14-15,23H,1,6-7,10,13,16-20H2,(H,28,32)(H,29,33)/t23-/m0/s1
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2.55E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461633
PNG
(CHEMBL4227896)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C26H33N5O3/c1-2-24(32)28-14-7-6-12-23(29-25(33)19-21-9-4-3-5-10-21)26(34)31-17-15-30(16-18-31)22-11-8-13-27-20-22/h2-5,8-11,13,20,23H,1,6-7,12,14-19H2,(H,28,32)(H,29,33)/t23-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461633
PNG
(CHEMBL4227896)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C26H33N5O3/c1-2-24(32)28-14-7-6-12-23(29-25(33)19-21-9-4-3-5-10-21)26(34)31-17-15-30(16-18-31)22-11-8-13-27-20-22/h2-5,8-11,13,20,23H,1,6-7,12,14-19H2,(H,28,32)(H,29,33)/t23-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50603650
PNG
(CHEMBL5185370)
Show SMILES Clc1cccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c1Cl |r|
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2.70E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50603652
PNG
(CHEMBL5183927)
Show SMILES Fc1ccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c(F)c1 |r|
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2.80E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50603640
PNG
(CHEMBL5171518)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
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2.80E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
CHEMBL5267210
PNG
PDB
MMDB

KEGG

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2.90E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461610
PNG
(CHEMBL4227835)
Show SMILES Ic1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H32IN5O3/c1-2-24(33)28-14-7-6-11-21(29-25(34)19-20-9-4-3-5-10-20)26(35)32-17-15-31(16-18-32)23-13-8-12-22(27)30-23/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,28,33)(H,29,34)/t21-/m0/s1
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2.92E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


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


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


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


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



Stanford University

Curated by ChEMBL


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


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


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


(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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3.20E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00382h
BindingDB Entry DOI: 10.7270/Q23F4TMJ
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
CHEMBL5290945
PNG
PDB
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3.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
CHEMBL5290460
PNG
PDB
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3.40E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50461626
PNG
(CHEMBL4228542)
Show SMILES CC(C)(C)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H41N5O3/c1-5-27(36)31-17-10-9-14-24(32-28(37)22-23-12-7-6-8-13-23)29(38)35-20-18-34(19-21-35)26-16-11-15-25(33-26)30(2,3)4/h5-8,11-13,15-16,24H,1,9-10,14,17-22H2,2-4H3,(H,31,36)(H,32,37)/t24-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay


J Med Chem 61: 4528-4560 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00286
BindingDB Entry DOI: 10.7270/Q2W66PC7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50241218
PNG
(CHEMBL4103395)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H41N5O6S/c1-4-31(39)34-19-9-8-16-28(35-33(41)44-24-25-12-6-5-7-13-25)32(40)37-20-22-38(23-21-37)45(42,43)30-18-11-14-26-27(30)15-10-17-29(26)36(2)3/h4-7,10-15,17-18,28H,1,8-9,16,19-24H2,2-3H3,(H,34,39)(H,35,41)/t28-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114172
BindingDB Entry DOI: 10.7270/Q2K64P4J
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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3.98E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


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



Stanford University

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
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