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PubMed code 1469704

Compile data set for download or QSAR
Found 5 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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50004169
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15+,16?/m0/s1
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Mayo Foundation for Education and Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes


J Med Chem 35: 4764-6 (1993)


Article DOI: 10.1021/jm00103a015
BindingDB Entry DOI: 10.7270/Q2QR4XQT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Mayo Foundation for Education and Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes


J Med Chem 35: 4764-6 (1993)


Article DOI: 10.1021/jm00103a015
BindingDB Entry DOI: 10.7270/Q2QR4XQT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50004170
PNG
(Benzoic acid 2-(2-chloro-vinyl)-8-methyl-8-aza-bic...)
Show SMILES CN1[C@@H]2CCC1[C@@H](\C=C\Cl)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C17H20ClNO2/c1-19-13-7-8-15(19)14(9-10-18)16(11-13)21-17(20)12-5-3-2-4-6-12/h2-6,9-10,13-16H,7-8,11H2,1H3/b10-9+/t13-,14-,15?,16+/m1/s1
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n/an/a 222n/an/an/an/an/an/a



Mayo Foundation for Education and Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes


J Med Chem 35: 4764-6 (1993)


Article DOI: 10.1021/jm00103a015
BindingDB Entry DOI: 10.7270/Q2QR4XQT
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Mayo Foundation for Education and Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes


J Med Chem 35: 4764-6 (1993)


Article DOI: 10.1021/jm00103a015
BindingDB Entry DOI: 10.7270/Q2QR4XQT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50004168
PNG
(Benzoic acid 8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C=C)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-3-14-15-10-9-13(18(15)2)11-16(14)20-17(19)12-7-5-4-6-8-12/h3-8,13-16H,1,9-11H2,2H3/t13-,14-,15?,16+/m1/s1
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PubMed
n/an/a 1.73E+3n/an/an/an/an/an/a



Mayo Foundation for Education and Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes


J Med Chem 35: 4764-6 (1993)


Article DOI: 10.1021/jm00103a015
BindingDB Entry DOI: 10.7270/Q2QR4XQT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%