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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 = 'BDBM50175147'   
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))
BDBM50175147
PNG
(CHEMBL197024 | N-(bis(4-fluorophenyl)methyl)-8-met...)
Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7|
Show InChI InChI=1S/C21H24F2N2/c1-25-19-10-11-20(25)13-18(12-19)24-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21,24H,10-13H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat brain membrane


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50175147
PNG
(CHEMBL197024 | N-(bis(4-fluorophenyl)methyl)-8-met...)
Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7|
Show InChI InChI=1S/C21H24F2N2/c1-25-19-10-11-20(25)13-18(12-19)24-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21,24H,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
661n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat brain membrane


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair