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Compile Data Set for Download or QSAR

Found 1603 hits with Last Name = 'kuhar' and Initial = 'mj'   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0200n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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0.130n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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0.215n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50006774
PNG
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CC[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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0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168041
PNG
(3-(3-Fluoro-4-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.650n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50156916
PNG
((1R)-3beta-(4-bromophenyl)tropane-2beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C
Show InChI InChI=1S/C16H20BrNO2/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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0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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1.07n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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1.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
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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2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168044
PNG
(3-(3,5-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2
Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-12(7-11-2-3-13(14)18-11)8-4-9(16)6-10(17)5-8/h4-6,11-14,18H,2-3,7H2,1H3
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2.05n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168042
PNG
(3-(4-Fluoro-3-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2
Show InChI InChI=1S/C16H20FNO2/c1-9-7-10(3-5-13(9)17)12-8-11-4-6-14(18-11)15(12)16(19)20-2/h3,5,7,11-12,14-15,18H,4,6,8H2,1-2H3
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2.12n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118185
PNG
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C
Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1
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2.58n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for the binding affinity towards Serotonin transporter in rat midbrain tissue by displacing [3H]paroxetine radioligand


J Med Chem 45: 4029-37 (2002)


Article DOI: 10.1021/jm020098n
BindingDB Entry DOI: 10.7270/Q20P10RR
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168047
PNG
(3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2
Show InChI InChI=1S/C15H17F2NO2/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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2.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
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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3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50156915
PNG
((2R,3S)-methyl 3-(4-chlorophenyl)-8-methyl-8-aza-b...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(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/t12?,13-,14?,15-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
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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3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
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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3.28n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
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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3.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
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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3.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(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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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168046
PNG
(3-(3-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2
Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-5-6-13(14)17-11)9-3-2-4-10(16)7-9/h2-4,7,11-14,17H,5-6,8H2,1H3
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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
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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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50093781
PNG
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50093781
PNG
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
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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4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50156915
PNG
((2R,3S)-methyl 3-(4-chlorophenyl)-8-methyl-8-aza-b...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(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/t12?,13-,14?,15-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50093781
PNG
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50093781
PNG
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibition uptake of [2H]-Dopamine


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
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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5.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
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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5.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
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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5.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50156917
PNG
((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CCC(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-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035726
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake by rat striatal dopamine transporter


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM22403
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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6.10n/an/an/a 30n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
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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6.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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6.24n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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6.58n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


Article DOI: 10.1016/0024-3205(89)90523-7
BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
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