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SMILES: FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1

InChI Key: InChIKey=FAKKISIJBZNDFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 99857   

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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (Homo sapiens (Human))	BDBM99857 (US9695200, 59) Show SMILES FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C22H15F3N4O/c1-2-20(30)29-17-7-14(6-16(9-17)22(23,24)25)15-8-18-19(12-28-21(18)27-11-15)13-4-3-5-26-10-13/h2-12H,1H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	37
Confluence Life Sciences, Inc. US Patent					Assay Description Compounds were serially diluted into DMSO, and then into media to concentrations 10× that of the final assay concentration. Compounds were then added...				US Patent US9695200 (2017) BindingDB Entry DOI: 10.7270/Q20G3H9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM99857 (US9695200, 59) Show SMILES FC(F)(F)c1cc(NC(=O)C=C)cc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1 Show InChI InChI=1S/C22H15F3N4O/c1-2-20(30)29-17-7-14(6-16(9-17)22(23,24)25)15-8-18-19(12-28-21(18)27-11-15)13-4-3-5-26-10-13/h2-12H,1H2,(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Confluence Life Sciences, Inc. US Patent					Assay Description This assay is based on the binding of a proprietary, Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to the ITK express...				US Patent US9695200 (2017) BindingDB Entry DOI: 10.7270/Q20G3H9T
					More data for this Ligand-Target Pair