Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase SMG1' and Ligand = 'BDBM50394165'   

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
Serine/threonine-protein kinase SMG1 (Homo sapiens (Human))	BDBM50394165 (CHEMBL2158866) Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1Cl Show InChI InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay				Bioorg Med Chem Lett 22: 6636-41 (2012) Article DOI: 10.1016/j.bmcl.2012.08.107 BindingDB Entry DOI: 10.7270/Q2TB181N
					More data for this Ligand-Target Pair				3D Structure (crystal)