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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2 (TG2)' and Ligand = 'BDBM50420440'   
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 (TG2)


(Homo sapiens (Human))
BDBM50420440
PNG
(CHEMBL2089393)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC2CN(CC2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H25N3O5S/c1-2-22(27)24-20-8-10-21(11-9-20)32(29,30)26-14-18-12-25(13-19(18)15-26)23(28)31-16-17-6-4-3-5-7-17/h2-11,18-19H,1,12-16H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair