Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 530.5 BDBM379056

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))	BDBM379056 (N-{2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-indazo...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)COC)c3ccncc3)c3ccccc23)c(F)c1 Show InChI InChI=1S/C28H24F2N6O3/c1-3-39-19-14-22(29)21(23(30)15-19)16-35-24-7-5-4-6-20(24)27(34-35)28-32-13-10-25(33-28)36(26(37)17-38-2)18-8-11-31-12-9-18/h4-15H,3,16-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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