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BDBM50005580 Benzoic acid 2-acetoxymethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester::CHEMBL174864

SMILES: CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1

InChI Key: InChIKey=SSYJHBOBILTUDS-VXLLPVPCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005580   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005580
PNG
(Benzoic acid 2-acetoxymethyl-8-methyl-8-aza-bicycl...)
Show SMILES CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C18H23NO4/c1-12(20)22-11-15-16-9-8-14(19(16)2)10-17(15)23-18(21)13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15?,16?,17+/m1/s1
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Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair