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Target
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IC50
Kd
EC50
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ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 374.8
BDBM50342568
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human))
BDBM50342568
((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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
410
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/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
((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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM50342568
((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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
360
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM50342568
((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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.50E+3
n/a
n/a
n/a
n/a
n/a
n/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