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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50001201'   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1
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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
813n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand


J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand


J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair