Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 615.6 BDBM379019

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))	BDBM379019 (1-({2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-indaz...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)CN4CCCCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 Show InChI InChI=1S/C33H35F2N7O3/c1-2-44-24-16-27(34)26(28(35)17-24)20-42-29-9-5-4-8-25(29)31(40-42)33-37-18-30(32(39-33)38-22-10-12-36-13-11-22)45-21-23(43)19-41-14-6-3-7-15-41/h4-5,8-13,16-18,23,43H,2-3,6-7,14-15,19-21H2,1H3,(H,36,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	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