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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 = 'BDBM22402'   
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


(Homo sapiens (Human))
BDBM22402
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-9-10-20(27)22(19(12-18)14-5-7-17(25)8-6-14)23-26-13-21(28-23)15-3-2-4-16(24)11-15/h2-8,11,13,18-20,22H,9-10,12H2,1H3/t18-,19+,20+,22-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/a 63n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22402
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-9-10-20(27)22(19(12-18)14-5-7-17(25)8-6-14)23-26-13-21(28-23)15-3-2-4-16(24)11-15/h2-8,11,13,18-20,22H,9-10,12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair