BDBM418624 N-[2-(([2-anilino-5- (trifluoromethyl)pyrimidin-4- yl]amino}methyl)phenyl] methanesulfonamide (68)::US10450297, Example 68

SMILES: CS(=O)(=O)Nc1ccccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F

InChI Key: InChIKey=ZIXPNBQCWRSVDD-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 = 418624   

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))	BDBM418624 (N-[2-(([2-anilino-5- (trifluoromethyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)Nc1ccccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2S/c1-30(28,29)27-16-10-6-5-7-13(16)11-23-17-15(19(20,21)22)12-24-18(26-17)25-14-8-3-2-4-9-14/h2-10,12,27H,11H2,1H3,(H2,23,24,25,26)	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