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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dopamine Transporter (DAT)' and Ligand = 'BDBM50005555'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005555
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H23NO4/c1-23-16-12-13-18(23)20(22(25)26-17-10-6-3-7-11-17)19(14-16)27-21(24)15-8-4-2-5-9-15/h2-11,16,18-20H,12-14H2,1H3/t16-,18?,19+,20?/m1/s1
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PC sid
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Patents


Similars

Article
PubMed
n/an/a 112n/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