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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50342579'   
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))
BDBM50342579
PNG
((E)-3-(2-(5-bromopyridin-3-yl)-2-oxoethylidene)-4-...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3cncc(Br)c3)c12
Show InChI InChI=1S/C15H8BrClN2O2/c16-9-4-8(6-18-7-9)13(20)5-10-14-11(17)2-1-3-12(14)19-15(10)21/h1-7H,(H,19,21)/b10-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/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))
BDBM50342579
PNG
((E)-3-(2-(5-bromopyridin-3-yl)-2-oxoethylidene)-4-...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3cncc(Br)c3)c12
Show InChI InChI=1S/C15H8BrClN2O2/c16-9-4-8(6-18-7-9)13(20)5-10-14-11(17)2-1-3-12(14)19-15(10)21/h1-7H,(H,19,21)/b10-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/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