BDBM378946 2-[1-(2-chloro- 4,5- dimethylbenzyl)- 1H-indazol-3-yl]- 5-methoxy-N- (pyridin-4- yl)pyrimidin-4- amine::US10266548, Example 2-3-1

SMILES: COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc(C)c(C)cc2Cl)c2ccccc12

InChI Key: InChIKey=YAAVWYIZLHIKKG-UHFFFAOYSA-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 = 378946   

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))	BDBM378946 (2-[1-(2-chloro- 4,5- dimethylbenzyl)- 1H-indazol-3...) Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc(C)c(C)cc2Cl)c2ccccc12 Show InChI InChI=1S/C26H23ClN6O/c1-16-12-18(21(27)13-17(16)2)15-33-22-7-5-4-6-20(22)24(32-33)26-29-14-23(34-3)25(31-26)30-19-8-10-28-11-9-19/h4-14H,15H2,1-3H3,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	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