BDBM418860 2-chloro-4-({4-[({3- [methyl(methylsulfonyl)amino]pyrazin-2- yl}methyl)amino]-5- (trifluoromethyl)pyrimidin-2- yl}amino)benzamide (360)::US10450297, Example 360

SMILES: CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)c(Cl)c2)ncc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=VVABIYKOHROWST-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 = 418860   

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))	BDBM418860 (2-chloro-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)c(Cl)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H18ClF3N8O3S/c1-31(35(2,33)34)17-14(25-5-6-26-17)9-27-16-12(19(21,22)23)8-28-18(30-16)29-10-3-4-11(15(24)32)13(20)7-10/h3-8H,9H2,1-2H3,(H2,24,32)(H2,27,28,29,30)	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