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PubMed code 8464040

Compile data set for download or QSAR
Found 21 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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046734
PNG
(3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3
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n/an/a 0.660n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/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 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046734
PNG
(3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
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 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/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 2.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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 5.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046733
PNG
(3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(Br)c1)N2C
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C16H20FNO2/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/t12-,13-,14-,15+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046733
PNG
(3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(Br)c1)N2C
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046737
PNG
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
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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n/an/a 65n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
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
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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n/an/a 96n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C16H20FNO2/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/t12-,13-,14-,15+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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
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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Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046735
PNG
(3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CCCC[Sn](CCCC)(CCCC)c1cccc(c1)C1CC2CCC(C1C(=O)OC)N2C
Show InChI InChI=1S/C16H20NO2.3C4H9.Sn/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11;3*1-3-4-2;/h3-4,6-7,12-15H,8-10H2,1-2H3;3*1,3-4H2,2H3;
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%