BDBM50246378 CHEMBL452341::N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-2lambda6-benzo[c]isothiazol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-N-methyl-methanesulfonamide

SMILES: CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=JKXHCHABOHZRIC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50246378   

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
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50246378 (CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...) Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation				Bioorg Med Chem Lett 18: 6071-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50246378 (CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...) Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation				Bioorg Med Chem Lett 18: 6071-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H
					More data for this Ligand-Target Pair