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 = 'BDBM379045'   

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))	BDBM379045 (4-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 5-(2...) Show SMILES CNC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12 Show InChI InChI=1S/C27H24FN7O3/c1-29-27(37)19-14-30-11-10-21(19)32-25-23(38-13-12-36)15-31-26(33-25)24-18-7-3-5-9-22(18)35(34-24)16-17-6-2-4-8-20(17)28/h2-11,14-15,36H,12-13,16H2,1H3,(H,29,37)(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	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