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SMILES: Fc1ccc2c(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c[nH]c2c1

InChI Key: InChIKey=SBGPEHZLPVWKDI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200154   
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


(Homo sapiens (Human))		BDBM50200154
PNG
(CHEMBL220137 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...)
Show SMILES Fc1ccc2c(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c[nH]c2c1 |c:27|
Show InChI InChI=1S/C23H22BrFN4O4/c24-21-10-17(33-29-21)12-27-22(30)20(28-23(31)32-13-14-4-2-1-3-5-14)8-15-11-26-19-9-16(25)6-7-18(15)19/h1-7,9,11,17,20,26H,8,10,12-13H2,(H,27,30)(H,28,31)
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Similars
Article
PubMed
 1.80E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli

J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair