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BDBM50294286 3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl)pyridine::CHEMBL549825

SMILES: Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl

InChI Key: InChIKey=RILKVQPDTVTHBN-FWJOYPJLSA-N

Data: 8 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 8 hits for monomerid = 50294286   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
NCI pathway
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KEGG

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PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
NCI pathway
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Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
PDB
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PubMed
n/an/a 6.61E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
Reactome pathway
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PC sid
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair