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BDBM50083723 CHEMBL3423197

SMILES: NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=QXPGBZSOGVCSDE-HGXVMFPFNA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083723   
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))
BDBM50083723
PNG
(CHEMBL3423197)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1/C10H9BrN2O3/c11-5-1-3-6(4-2-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
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Similars

Article
PubMed
n/an/a 57n/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)
BDBM50083723
PNG
(CHEMBL3423197)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1/C10H9BrN2O3/c11-5-1-3-6(4-2-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 130n/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