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BDBM50342556 (E)-7-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one::CHEMBL1770547

SMILES: Brc1cccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc12

InChI Key: InChIKey=OWPAVLUZKPJKLG-YRNVUSSQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50342556   
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))
BDBM50342556
PNG
((E)-7-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1cccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc12
Show InChI InChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(20)18-14(10)12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342556
PNG
((E)-7-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...)
Show SMILES Brc1cccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc12
Show InChI InChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(20)18-14(10)12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair