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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 = 'BDBM50005575'   
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))
BDBM50005575
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)OCCc1ccc(N)cc1
Show InChI InChI=1S/C24H28N2O4/c1-26-19-11-12-20(26)22(21(15-19)30-23(27)17-5-3-2-4-6-17)24(28)29-14-13-16-7-9-18(25)10-8-16/h2-10,19-22H,11-15,25H2,1H3/t19-,20?,21+,22?/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005575
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)OCCc1ccc(N)cc1
Show InChI InChI=1S/C24H28N2O4/c1-26-19-11-12-20(26)22(21(15-19)30-23(27)17-5-3-2-4-6-17)24(28)29-14-13-16-7-9-18(25)10-8-16/h2-10,19-22H,11-15,25H2,1H3/t19-,20?,21+,22?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 72n/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