BDBM50149840 2-Amino-6-(2-hydroxy-6-propoxy-phenyl)-1'',2'',3'',4'',5'',6''-hexahydro-[4,4'']bipyridinyl-3-carbonitrile::CHEMBL369306

SMILES: CCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1

InChI Key: InChIKey=AMSPCSYNFCFPJS-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 = 50149840   

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 beta (Homo sapiens (Human))	BDBM50149840 (2-Amino-6-(2-hydroxy-6-propoxy-phenyl)-1'',2'',3''...) Show SMILES CCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C20H24N4O2/c1-2-10-26-18-5-3-4-17(25)19(18)16-11-14(13-6-8-23-9-7-13)15(12-21)20(22)24-16/h3-5,11,13,23,25H,2,6-10H2,1H3,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)				Bioorg Med Chem Lett 14: 4019-22 (2004) Article DOI: 10.1016/j.bmcl.2004.05.041 BindingDB Entry DOI: 10.7270/Q2JM293M
					More data for this Ligand-Target Pair