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PubMed code 11965364

Compile data set for download or QSAR
Found 36 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))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/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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11n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/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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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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17n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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21n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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23n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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26n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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49n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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133n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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269n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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302n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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474n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/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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610n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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629n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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642n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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1.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(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
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1.75E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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1.85E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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1.86E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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1.89E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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1.99E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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2.04E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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2.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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2.68E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/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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3.26E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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3.32E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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3.74E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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4.11E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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4.38E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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5.10E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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7.64E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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1.38E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%