BDBM418655 N-methyl-4-({4-[({6-methyl-4- [methyl(methylsulfonyl)amino]pyridin- 3-yl}methyl)amino]-5- (trifluoromethyl)pyrimidin-2- yl}amino)benzamide (103)::US10450297, Example 103

SMILES: CNC(=O)c1ccc(Nc2ncc(c(NCc3cnc(C)cc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1

InChI Key: InChIKey=POLNQAAPWOBRFY-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 = 418655   

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))	BDBM418655 (N-methyl-4-({4-[({6-methyl-4- [methyl(methylsulfon...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cnc(C)cc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N7O3S/c1-13-9-18(32(3)36(4,34)35)15(10-27-13)11-28-19-17(22(23,24)25)12-29-21(31-19)30-16-7-5-14(6-8-16)20(33)26-2/h5-10,12H,11H2,1-4H3,(H,26,33)(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	0.590	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