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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 = 'BDBM50197486'   
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))
BDBM50197486
PNG
((2S,3S)-methyl 3-(3,4-dichlorophenyl)-8-oxa-bicycl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT expressed in transfected cell membrane


Bioorg Med Chem 16: 1832-41 (2008)


Article DOI: 10.1016/j.bmc.2007.11.009
BindingDB Entry DOI: 10.7270/Q20K29FS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Macaca fascicularis)
BDBM50197486
PNG
((2S,3S)-methyl 3-(3,4-dichlorophenyl)-8-oxa-bicycl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35428 from DAT in rhesus monkey caudate-putamen


Bioorg Med Chem 15: 1067-82 (2006)


Article DOI: 10.1016/j.bmc.2006.10.016
BindingDB Entry DOI: 10.7270/Q2765DZ8
More data for this
Ligand-Target Pair