Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitotic checkpoint serine/threonine-protein kinase BUB1' and Ligand = 'BDBM379108'   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM379108 (2-[1-(4-ethoxy-2,6- difluorobenzyl)-1H- indazol-3-...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CNCCO4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 Show InChI InChI=1S/C30H29F2N7O3/c1-2-40-20-13-24(31)23(25(32)14-20)17-39-26-6-4-3-5-22(26)28(38-39)30-35-16-27(42-18-21-15-34-11-12-41-21)29(37-30)36-19-7-9-33-10-8-19/h3-10,13-14,16,21,34H,2,11-12,15,17-18H2,1H3,(H,33,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M
					More data for this Ligand-Target Pair