null

SMILES: N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1

InChI Key: InChIKey=HDOTZQLJXWSXIO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 47117   

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))	BDBM47117 (US8969335, A3) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1 Show InChI InChI=1S/C27H23N5O2/c28-15-22-12-19(3-4-26(22)34-25-6-10-33-11-7-25)20-5-9-31-27(14-20)32-24-13-23(17-30-18-24)21-2-1-8-29-16-21/h1-5,8-9,12-14,16-18,25H,6-7,10-11H2,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	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))	BDBM47117 (US8969335, A3) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1 Show InChI InChI=1S/C27H23N5O2/c28-15-22-12-19(3-4-26(22)34-25-6-10-33-11-7-25)20-5-9-31-27(14-20)32-24-13-23(17-30-18-24)21-2-1-8-29-16-21/h1-5,8-9,12-14,16-18,25H,6-7,10-11H2,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	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