null

SMILES: O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1

InChI Key: InChIKey=ZXXUISVZQNQVSN-OYRHEFFESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144136   

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))	BDBM144136 (US8969335, A73) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+	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))	BDBM144136 (US8969335, A73) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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