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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.3
BDBM50400649

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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