Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50241218'   

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))	BDBM50241218 (CHEMBL4103395) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H41N5O6S/c1-4-31(39)34-19-9-8-16-28(35-33(41)44-24-25-12-6-5-7-13-25)32(40)37-20-22-38(23-21-37)45(42,43)30-18-11-14-26-27(30)15-10-17-29(26)36(2)3/h4-7,10-15,17-18,28H,1,8-9,16,19-24H2,2-3H3,(H,34,39)(H,35,41)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114172 BindingDB Entry DOI: 10.7270/Q2K64P4J
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50241218 (CHEMBL4103395) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H41N5O6S/c1-4-31(39)34-19-9-8-16-28(35-33(41)44-24-25-12-6-5-7-13-25)32(40)37-20-22-38(23-21-37)45(42,43)30-18-11-14-26-27(30)15-10-17-29(26)36(2)3/h4-7,10-15,17-18,28H,1,8-9,16,19-24H2,2-3H3,(H,34,39)(H,35,41)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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