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BDBM50202400 (RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine::(RS/SR)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine::CHEMBL218999

SMILES: CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MXBQNIQYUCTYND-UHFFFAOYSA-N

Data: 6 KI  6 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 12 hits for monomerid = 50202400   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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450n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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KEGG

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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake into human NET expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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PubMed
n/an/a 290n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
Reactome pathway
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PubMed
n/an/a 19n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake into human NET expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
NCI pathway
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Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


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


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
PDB

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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
NCI pathway
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PubMed
n/an/a 13n/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


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


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair