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SMILES: FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1

InChI Key: InChIKey=XBFXJAXJSWLRPR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144219   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144219 (US8969335, A44) Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144219 (US8969335, A44) Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair