Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.5 BDBM379016

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM379016 (5-[2- (dimethyl- amino)ethoxy]-2- [1-(4- ftuoroben...) Show SMILES CN(C)CCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C27H26FN7O/c1-34(2)15-16-36-24-17-30-27(32-26(24)31-21-11-13-29-14-12-21)25-22-5-3-4-6-23(22)35(33-25)18-19-7-9-20(28)10-8-19/h3-14,17H,15-16,18H2,1-2H3,(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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