BDBM27449 5-{6-methoxy-5-[2-(morpholin-4-yl)ethoxy]-1H-1,3-benzodiazol-1-yl}-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile::benzimidazole-thiophene carbonitrile, 12b

SMILES: COc1cc2n(cnc2cc1OCCN1CCOCC1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N

InChI Key: InChIKey=MJZWDFWUICERSZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 27449   

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))	BDBM27449 (5-{6-methoxy-5-[2-(morpholin-4-yl)ethoxy]-1H-1,3-b...) Show SMILES COc1cc2n(cnc2cc1OCCN1CCOCC1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N Show InChI InChI=1S/C27H25F3N4O4S/c1-35-22-13-21-20(12-23(22)37-11-8-33-6-9-36-10-7-33)32-17-34(21)26-14-24(25(15-31)39-26)38-16-18-4-2-3-5-19(18)27(28,29)30/h2-5,12-14,17H,6-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair