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BDBM50212367 CHEMBL541895::threo-1-aza-3alpha-methyl-5-phenyl[4.4.0]decane hydrochloride

SMILES: C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1

InChI Key: InChIKey=KVDDHSOWSOEYMM-NUEKZKHPSA-N

Data: 3 KI  1 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 = 50212367   
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


(Rattus norvegicus (rat))
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
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Article
PubMed
178n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
PDB

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PubMed
427n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
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UniProtKB/TrEMBL

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694n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 368n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair