BDBM418791 N-methyl-N-{3-[({2-[(4-morpholin-4- ylphenyl)amino]-5- (trifluoromethyl)pyrimidin-4- yl}amino)methyl]pyridin-2- yl}methanesulfonamide (291), hydrochloride salt::US10450297, Example 291

SMILES: CN(c1ncccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=XHPUQAFRUACYDR-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 = 418791   

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
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418791 (N-methyl-N-{3-[({2-[(4-morpholin-4- ylphenyl)amino...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C23H26F3N7O3S/c1-32(37(2,34)35)21-16(4-3-9-27-21)14-28-20-19(23(24,25)26)15-29-22(31-20)30-17-5-7-18(8-6-17)33-10-12-36-13-11-33/h3-9,15H,10-14H2,1-2H3,(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair