Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50420452'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50420452 (CHEMBL2086542) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1cnc(NC(=O)C=C)nc1 Show InChI InChI=1S/C16H23N5O5S/c1-5-13(22)19-14-17-10-12(11-18-14)27(24,25)21-8-6-20(7-9-21)15(23)26-16(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,17,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
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