Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50420507'   

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))	BDBM50420507 (CHEMBL2086511) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C27H27N3O6S/c1-2-26(31)28-22-12-14-24(15-13-22)37(33,34)30-18-16-29(17-19-30)27(32)35-20-21-8-6-7-11-25(21)36-23-9-4-3-5-10-23/h2-15H,1,16-20H2,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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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