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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50039177'   
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))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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17.5n/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-35428 from DAT in Sprague-Dawley rat brain


J Med Chem 49: 6391-9 (2006)


Article DOI: 10.1021/jm060762q
BindingDB Entry DOI: 10.7270/Q2WD41D4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/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-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand


J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.


J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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23.4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Ability of compound to inhibit dopamine uptake of receptor was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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n/an/a 23.4n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat brain


J Med Chem 49: 6391-9 (2006)


Article DOI: 10.1021/jm060762q
BindingDB Entry DOI: 10.7270/Q2WD41D4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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n/an/a 75n/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


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


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair