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SMILES: COc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1

InChI Key: InChIKey=NWDXILRETBWCCR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200146   
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))		BDBM50200146
PNG
(CHEMBL216391 | quinolin-3-ylmethyl 1-((3-bromo-4,5...)
Show SMILES COc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:35|
Show InChI InChI=1S/C27H26BrN5O5/c1-36-19-6-7-23-21(10-19)18(13-30-23)9-24(26(34)31-14-20-11-25(28)33-38-20)32-27(35)37-15-16-8-17-4-2-3-5-22(17)29-12-16/h2-8,10,12-13,20,24,30H,9,11,14-15H2,1H3,(H,31,34)(H,32,35)
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Similars
Article
PubMed
 5.10E+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