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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine Transporter (DAT)' and Ligand = 'BDBM50006776'   
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))
BDBM50006776
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1
Show InChI InChI=1S/C25H29NO4/c1-26-20-14-15-21(26)23(22(17-20)30-24(27)19-12-6-3-7-13-19)25(28)29-16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,20-23H,8,11,14-17H2,1H3/t20-,21?,22+,23-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 139n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]WIN-35428l binding to dopamine transporter


J Med Chem 35: 2497-500 (1992)


Article DOI: 10.1021/jm00091a019
BindingDB Entry DOI: 10.7270/Q2736RJC
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006776
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1
Show InChI InChI=1S/C25H29NO4/c1-26-20-14-15-21(26)23(22(17-20)30-24(27)19-12-6-3-7-13-19)25(28)29-16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,20-23H,8,11,14-17H2,1H3/t20-,21?,22+,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 139n/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