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BDBM50061251 1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-ethanol::CHEMBL127013

SMILES: OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CDDODAHZNGOHJP-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50061251   
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))
BDBM50061251
PNG
(1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...)
Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6|
Show InChI InChI=1S/C21H23Cl2NO/c22-19-9-6-15(12-20(19)23)21(25)13-24-17-7-8-18(24)11-16(10-17)14-4-2-1-3-5-14/h1-6,9,12,16-18,21,25H,7-8,10-11,13H2
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Article
PubMed
23.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in rat striatal membrane.


J Med Chem 40: 3905-14 (1998)


Article DOI: 10.1021/jm970326r
BindingDB Entry DOI: 10.7270/Q2KK99WJ
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50061251
PNG
(1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...)
Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6|
Show InChI InChI=1S/C21H23Cl2NO/c22-19-9-6-15(12-20(19)23)21(25)13-24-17-7-8-18(24)11-16(10-17)14-4-2-1-3-5-14/h1-6,9,12,16-18,21,25H,7-8,10-11,13H2
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antibodypedia
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PC sid
UniChem

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Article
PubMed
60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles


J Med Chem 40: 3905-14 (1998)


Article DOI: 10.1021/jm970326r
BindingDB Entry DOI: 10.7270/Q2KK99WJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061251
PNG
(1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...)
Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6|
Show InChI InChI=1S/C21H23Cl2NO/c22-19-9-6-15(12-20(19)23)21(25)13-24-17-7-8-18(24)11-16(10-17)14-4-2-1-3-5-14/h1-6,9,12,16-18,21,25H,7-8,10-11,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
249n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine


J Med Chem 40: 3905-14 (1998)


Article DOI: 10.1021/jm970326r
BindingDB Entry DOI: 10.7270/Q2KK99WJ
More data for this
Ligand-Target Pair