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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM364423'   
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))
BDBM364423
PNG
(US10913711, Compound 10j | US11555013, Compound 10...)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
US Patent
2.53n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q2PR7Z87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM364423
PNG
(US10913711, Compound 10j | US11555013, Compound 10...)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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MCE
PC cid
PC sid
UniChem
US Patent
2.53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ST7TRG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM364423
PNG
(US10913711, Compound 10j | US11555013, Compound 10...)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
2.53n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...


US Patent US10913711 (2021)


BindingDB Entry DOI: 10.7270/Q2F47S7B
More data for this
Ligand-Target Pair