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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 = 'BDBM50453896'   
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))
BDBM50453896
PNG
(CHEMBL3084898)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(CC)cc1)N2C |TLB:9:7:25:3.2|
Show InChI InChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22+,23?
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
520n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453896
PNG
(CHEMBL3084898)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(CC)cc1)N2C |TLB:9:7:25:3.2|
Show InChI InChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22+,23?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 984n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in rat caudate putamen.


J Med Chem 38: 3933-40 (1995)


BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair