BDBM144160 US8969335, A97

SMILES: O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1

InChI Key: InChIKey=XSPWFBVBJPGXNR-SZPZYZBQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144160   

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))	BDBM144160 (US8969335, A97) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.97,-2.61,;-9.88,-1.52,;-10.28,-.04,;-9.19,1.05,;-7.7,.65,;-7.31,-.83,;-8.39,-1.92,;-6.61,1.74,;-5.15,1.27,;-4.24,2.51,;-2.76,2.91,;-1.99,1.58,;-2.76,.24,;-1.99,-1.09,;-.45,-1.09,;.32,.24,;-.45,1.58,;1.86,.24,;2.63,1.58,;4.17,1.58,;4.94,.24,;6.48,.24,;7.25,-1.09,;8.79,-1.09,;9.88,-2.18,;10.97,-1.09,;9.88,-0,;4.17,-1.09,;2.63,-1.09,;4.94,-2.42,;5.71,-3.76,;-5.15,3.76,;-6.61,3.28,)| Show InChI InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	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
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144160 (US8969335, A97) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.97,-2.61,;-9.88,-1.52,;-10.28,-.04,;-9.19,1.05,;-7.7,.65,;-7.31,-.83,;-8.39,-1.92,;-6.61,1.74,;-5.15,1.27,;-4.24,2.51,;-2.76,2.91,;-1.99,1.58,;-2.76,.24,;-1.99,-1.09,;-.45,-1.09,;.32,.24,;-.45,1.58,;1.86,.24,;2.63,1.58,;4.17,1.58,;4.94,.24,;6.48,.24,;7.25,-1.09,;8.79,-1.09,;9.88,-2.18,;10.97,-1.09,;9.88,-0,;4.17,-1.09,;2.63,-1.09,;4.94,-2.42,;5.71,-3.76,;-5.15,3.76,;-6.61,3.28,)| Show InChI InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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