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PubMed code 10966747

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))
BDBM50091312
PNG
(8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES CCCC1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6|
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16?,17-,18?/m1/s1
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21n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to dopamine transporter of rat striatal membranes.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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50n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into nerve endings (synaptosomes) prepared from various regions of the rat brain.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50091312
PNG
(8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES CCCC1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6|
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16?,17-,18?/m1/s1
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52n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into nerve endings (synaptosomes) prepared from various regions of the rat brain.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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89n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to dopamine transporter of rat striatal membranes.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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230n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to dopamine transporter of rat striatal membranes.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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423n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into nerve endings (synaptosomes) prepared from various regions of the rat brain.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50091310
PNG
(9-Methyl-3-p-tolyl-6-oxa-9-aza-tricyclo[5.2.1.0*4,...)
Show SMILES CN1[C@@H]2CC3OC(=O)C(C13)C(C2)c1ccc(C)cc1 |TLB:0:1:8.10.11:4.3|
Show InChI InChI=1S/C16H19NO2/c1-9-3-5-10(6-4-9)12-7-11-8-13-15(17(11)2)14(12)16(18)19-13/h3-6,11-15H,7-8H2,1-2H3/t11-,12?,13?,14?,15?/m0/s1
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1.45E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to dopamine transporter of rat striatal membranes.


J Med Chem 43: 3283-94 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q62
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%