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SMILES: C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=SXXLBRMMEANKGC-DEOSSOPVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241237   
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))		BDBM50241237
PNG
(CHEMBL4084407)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O6S/c1-2-25(32)28-16-10-9-15-24(29-27(34)37-21-22-11-5-3-6-12-22)26(33)30-17-19-31(20-18-30)38(35,36)23-13-7-4-8-14-23/h2-8,11-14,24H,1,9-10,15-21H2,(H,28,32)(H,29,34)/t24-/m0/s1
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Similars
Article
PubMed
 8.80E+3n/an/an/an/an/an/an/an/a



University of Ottawa

Curated by ChEMBL


Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay

J Med Chem 60: 7910-7927 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615
More data for this
Ligand-Target Pair