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BDBM50202381 (RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperodine::(RS/SR)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperidine::CHEMBL220247

SMILES: CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1

InChI Key: InChIKey=UWHKVOABKKOHHU-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 = 50202381   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
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16n/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 dopamine transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
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170n/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))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
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840n/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))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
PDB

KEGG

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PubMed
4.30E+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))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
Reactome pathway
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PubMed
4.50E+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 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))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
PDB

KEGG

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Article
PubMed
5.90E+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 dopamine transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 380n/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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
Reactome pathway
KEGG

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Article
PubMed
n/an/a 120n/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 dopamine transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 8.60n/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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/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))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/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 serotonin transporter


(Homo sapiens (Human))
BDBM50202381
PNG
((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/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