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BDBM50083759 CHEMBL3423192

SMILES: CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1

InChI Key: InChIKey=QETQXZZDUYKSLT-WEUYFXHZNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083759   
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))
BDBM50083759
PNG
(CHEMBL3423192)
Show SMILES CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1 |r|
Show InChI InChI=1/C14H18N2O3/c1-2-3-4-9-5-7-10(8-6-9)16-14(18)12-11(19-12)13(15)17/h5-8,11-12H,2-4H2,1H3,(H2,15,17)(H,16,18)/t11-,12+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of transglutaminase 2 (unknown origin)


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens (Human))
BDBM50083759
PNG
(CHEMBL3423192)
Show SMILES CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1 |r|
Show InChI InChI=1/C14H18N2O3/c1-2-3-4-9-5-7-10(8-6-9)16-14(18)12-11(19-12)13(15)17/h5-8,11-12H,2-4H2,1H3,(H2,15,17)(H,16,18)/t11-,12+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
More data for this
Ligand-Target Pair