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BDBM50149837 2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3'',4'',5'',6''-hexahydro-[4,4'']bipyridinyl-3-carbonitrile::CHEMBL181434

SMILES: CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1

InChI Key: InChIKey=OGFMKWLVMNSGRN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149837   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149837
PNG
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)
Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25)
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Article
PubMed
n/an/a 15n/an/an/an/an/an/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))
BDBM50149837
PNG
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)
Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25)
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/an/a 15n/an/an/an/an/an/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