Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50603624'   

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))	BDBM50603624 (CHEMBL5181135) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r,wD:9.8,TLB:11:13:15:17.19.18,THB:20:18:15:21.22.13,20:21:15:17.19.18,13:14:17:20.21.22,13:21:17:15.14.19,(.04,-6.04,;-1.3,-5.27,;-1.3,-3.73,;.04,-2.96,;-2.63,-2.96,;-2.63,-1.42,;-1.3,-.65,;-1.3,.89,;-2.63,1.66,;-2.63,3.2,;-3.97,3.97,;-5.3,3.2,;-5.3,1.66,;-6.65,3.75,;-7.47,4.68,;-7.47,5.71,;-8.4,6.04,;-9.38,5.6,;-9.38,4.57,;-8.4,4.29,;-8.67,3.64,;-7.69,4.08,;-7.69,5.17,;-1.3,3.97,;-1.3,5.51,;.04,3.2,;1.37,3.97,;2.7,3.2,;2.7,1.66,;1.37,.89,;.04,1.66,;4.04,.89,;4.04,-.65,;5.37,1.66,;5.37,3.21,;6.71,3.99,;8.05,3.21,;8.05,1.67,;9.38,.9,;9.38,-.64,;8.06,-1.41,;6.72,-.65,;6.71,.89,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	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