BDBM50149838 2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3,4,5,6-hexahydro-[3,4'']bipyridinyl-3''-carbonitrile::CHEMBL182749

SMILES: CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1

InChI Key: InChIKey=SSSLRTDQKYZAHB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50149838   

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))	BDBM50149838 (2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3...) Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-11-28-20-9-5-8-19(27)21(20)18-12-16(15-7-6-10-25-14-15)17(13-23)22(24)26-18/h5,8-9,12,15,25,27H,2-4,6-7,10-11,14H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50149838 (2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3...) Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-11-28-20-9-5-8-19(27)21(20)18-12-16(15-7-6-10-25-14-15)17(13-23)22(24)26-18/h5,8-9,12,15,25,27H,2-4,6-7,10-11,14H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50149838 (2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3...) Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-11-28-20-9-5-8-19(27)21(20)18-12-16(15-7-6-10-25-14-15)17(13-23)22(24)26-18/h5,8-9,12,15,25,27H,2-4,6-7,10-11,14H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using TMB as substrate after 30 mins by spectrophotometry				Eur J Med Chem 46: 3942-52 (2011) Article DOI: 10.1016/j.ejmech.2011.05.066 BindingDB Entry DOI: 10.7270/Q2XG9RJH
					More data for this Ligand-Target Pair