Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50420515'   

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))	BDBM50420515 (CHEMBL2086523) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCC2CCCCC2C1 Show InChI InChI=1S/C23H32N4O4S/c1-2-22(28)24-20-7-9-21(10-8-20)32(30,31)27-15-13-25(14-16-27)23(29)26-12-11-18-5-3-4-6-19(18)17-26/h2,7-10,18-19H,1,3-6,11-17H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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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