BDBM379025 2-(1-{2,6-difluoro- 4-[(1E)-prop-1-en- 1-yl]benzyl}-1H- indazol-3-yl)-5- methoxy-N- (pyridin-4- yl)pyrimidin-4- amine::US10266548, Example 6-2

SMILES: COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(\C=C\C)cc2F)c2ccccc12

InChI Key: InChIKey=VUWSGFLVLVWWCD-ZZXKWVIFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 379025   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM379025 (2-(1-{2,6-difluoro- 4-[(1E)-prop-1-en- 1-yl]benzyl...) Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(\C=C\C)cc2F)c2ccccc12 Show InChI InChI=1S/C27H22F2N6O/c1-3-6-17-13-21(28)20(22(29)14-17)16-35-23-8-5-4-7-19(23)25(34-35)27-31-15-24(36-2)26(33-27)32-18-9-11-30-12-10-18/h3-15H,16H2,1-2H3,(H,30,31,32,33)/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	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