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SMILES: OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1

InChI Key: InChIKey=FQMQKRIYLONZDU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144133   

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))	BDBM144133 (US8969335, A70) Show SMILES OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C22H21N5O3/c23-13-17-12-16(1-2-20(17)30-18-5-9-29-10-6-18)19-4-8-25-22(26-19)27-21-11-15(14-28)3-7-24-21/h1-4,7-8,11-12,18,28H,5-6,9-10,14H2,(H,24,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	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))	BDBM144133 (US8969335, A70) Show SMILES OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C22H21N5O3/c23-13-17-12-16(1-2-20(17)30-18-5-9-29-10-6-18)19-4-8-25-22(26-19)27-21-11-15(14-28)3-7-24-21/h1-4,7-8,11-12,18,28H,5-6,9-10,14H2,(H,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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