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SMILES: CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1

InChI Key: InChIKey=UGXRUMNFAKOITP-UHFFFAOYSA-N

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 = 50316932   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316932
PNG
(2-(1-methylpiperidin-3-yl)-1-((tetrahydrofuran-2-y...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1
Show InChI InChI=1S/C18H25N3O/c1-20-10-4-6-14(12-20)18-19-16-8-2-3-9-17(16)21(18)13-15-7-5-11-22-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
638n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50316932
PNG
(2-(1-methylpiperidin-3-yl)-1-((tetrahydrofuran-2-y...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1
Show InChI InChI=1S/C18H25N3O/c1-20-10-4-6-14(12-20)18-19-16-8-2-3-9-17(16)21(18)13-15-7-5-11-22-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair