BDBM144178 US8969335, A114

SMILES: COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1

InChI Key: InChIKey=ABRPYEJYCROVEY-UHFFFAOYSA-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 = 144178   

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))	BDBM144178 (US8969335, A114) Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1 Show InChI InChI=1S/C26H30N6O3/c1-19(33)31-10-7-20(8-11-31)18-35-25-5-4-21(14-24(25)27-2)22-6-9-28-26(15-22)30-23-16-29-32(17-23)12-13-34-3/h4-6,9,14-17,20H,7-8,10-13,18H2,1,3H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	650	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))	BDBM144178 (US8969335, A114) Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1 Show InChI InChI=1S/C26H30N6O3/c1-19(33)31-10-7-20(8-11-31)18-35-25-5-4-21(14-24(25)27-2)22-6-9-28-26(15-22)30-23-16-29-32(17-23)12-13-34-3/h4-6,9,14-17,20H,7-8,10-13,18H2,1,3H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.50E+3	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