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BDBM50302314 CHEMBL578346::N-cyclobutyl-N-(piperidin-4-yl)-2-naphthamide

SMILES: O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1

InChI Key: InChIKey=AZTPZTRJVCAAMX-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50302314   
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))
BDBM50302314
PNG
(CHEMBL578346 | N-cyclobutyl-N-(piperidin-4-yl)-2-n...)
Show SMILES O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H24N2O/c23-20(17-9-8-15-4-1-2-5-16(15)14-17)22(18-6-3-7-18)19-10-12-21-13-11-19/h1-2,4-5,8-9,14,18-19,21H,3,6-7,10-13H2
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MMDB

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PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50302314
PNG
(CHEMBL578346 | N-cyclobutyl-N-(piperidin-4-yl)-2-n...)
Show SMILES O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H24N2O/c23-20(17-9-8-15-4-1-2-5-16(15)14-17)22(18-6-3-7-18)19-10-12-21-13-11-19/h1-2,4-5,8-9,14,18-19,21H,3,6-7,10-13H2
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PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in HEK293 cells after 5 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302314
PNG
(CHEMBL578346 | N-cyclobutyl-N-(piperidin-4-yl)-2-n...)
Show SMILES O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H24N2O/c23-20(17-9-8-15-4-1-2-5-16(15)14-17)22(18-6-3-7-18)19-10-12-21-13-11-19/h1-2,4-5,8-9,14,18-19,21H,3,6-7,10-13H2
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human serotonin transporter expressed in HEK293 cells after 5 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50302314
PNG
(CHEMBL578346 | N-cyclobutyl-N-(piperidin-4-yl)-2-n...)
Show SMILES O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H24N2O/c23-20(17-9-8-15-4-1-2-5-16(15)14-17)22(18-6-3-7-18)19-10-12-21-13-11-19/h1-2,4-5,8-9,14,18-19,21H,3,6-7,10-13H2
Reactome pathway
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline reuptake at human noradrenaline transporter expressed in HEK293 cells after 15 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair