Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5 BDBM379032

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))	BDBM379032 (1-[3-({3-[5- methoxy-4- (pyridin-4- ylamino)pyrimi...) Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(CC(C)(C)O)c2)c2ccccc12 Show InChI InChI=1S/C28H28N6O2/c1-28(2,35)16-19-7-6-8-20(15-19)18-34-23-10-5-4-9-22(23)25(33-34)27-30-17-24(36-3)26(32-27)31-21-11-13-29-14-12-21/h4-15,17,35H,16,18H2,1-3H3,(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	21	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
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