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BDBM50083717 CHEMBL3423203

SMILES: NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1

InChI Key: InChIKey=FTAUSXYITUEDBR-MYKRFBFLNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083717   
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))
BDBM50083717
PNG
(CHEMBL3423203)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1/C23H18FN3O5/c24-14-3-1-13(2-4-14)22(29)26-15-5-9-17(10-6-15)31-18-11-7-16(8-12-18)27-23(30)20-19(32-20)21(25)28/h1-12,19-20H,(H2,25,28)(H,26,29)(H,27,30)/t19-,20+/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 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)

More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083717
PNG
(CHEMBL3423203)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1/C23H18FN3O5/c24-14-3-1-13(2-4-14)22(29)26-15-5-9-17(10-6-15)31-18-11-7-16(8-12-18)27-23(30)20-19(32-20)21(25)28/h1-12,19-20H,(H2,25,28)(H,26,29)(H,27,30)/t19-,20+/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 100n/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