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BDBM50241226 CHEMBL4079863

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=XWBPDTJLWCSINZ-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241226   
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 (TG2)


(Homo sapiens (Human))
BDBM50241226
PNG
(CHEMBL4079863)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H32N4O6S/c1-3-20(27)23-12-8-7-11-19(24-22(29)32-17-18-9-5-4-6-10-18)21(28)25-13-15-26(16-14-25)33(2,30)31/h3-6,9-10,19H,1,7-8,11-17H2,2H3,(H,23,27)(H,24,29)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
6.40E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay


J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615
More data for this
Ligand-Target Pair