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PubMed code 8027983

Compile data set for download or QSAR
Found 16 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))
BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(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/t12-,13-,14?,15?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(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/t12-,13-,14?,15?/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50059486
PNG
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
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 13n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
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
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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n/an/a 312n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 1.46E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 3.38E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50059486
PNG
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21+/m0/s1
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n/an/a 3.53E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 9.15E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50038743
PNG
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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n/an/a 2.41E+4n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%