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BDBM50083720 CHEMBL3423200

SMILES: NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1

InChI Key: InChIKey=DGMDMBJEUDSTCY-REIYMHPCNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083720   
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))
BDBM50083720
PNG
(CHEMBL3423200)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1/C18H18N4O7S/c19-17(23)15-16(29-15)18(24)21-12-7-5-11(6-8-12)9-10-20-30(27,28)14-4-2-1-3-13(14)22(25)26/h1-8,15-16,20H,9-10H2,(H2,19,23)(H,21,24)/t15-,16+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 88n/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)

More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083720
PNG
(CHEMBL3423200)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1/C18H18N4O7S/c19-17(23)15-16(29-15)18(24)21-12-7-5-11(6-8-12)9-10-20-30(27,28)14-4-2-1-3-13(14)22(25)26/h1-8,15-16,20H,9-10H2,(H2,19,23)(H,21,24)/t15-,16+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 90n/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)

More data for this
Ligand-Target Pair