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BDBM50006225 3-(4-Azido-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N=[N+]=[N-])c(I)c1)N2C

InChI Key: InChIKey=KHVIZTSKUUXZHP-XNSJETLRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006225   
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))
BDBM50006225
PNG
(3-(4-Azido-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C16H19IN4O2/c1-21-10-4-6-14(21)15(16(22)23-2)11(8-10)9-3-5-13(19-20-18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair