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Compile Data Set for Download or QSAR

Found 1282 hits with Last Name = 'blough' and Initial = 'b'   
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
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 |THB:2:4:18:6.7,11:10:18:6.7|
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


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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
Transporter


(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 |THB:2:4:19:6.7|
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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86237
PNG
(CAS_8226 | METHYLERGONOVINE | NSC_8226)
Show SMILES CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)
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0.800n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50191330
PNG
(4,5,6,7,8,9,10,11,13,17a,18,19,20,21,22,22a-hexade...)
Show SMILES CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4|
Show InChI InChI=1S/C25H36N2O3/c1-27-20-14-15-23(27)22-17-30-25(29)9-7-5-3-2-4-6-8-24(28)26-19-12-10-18(11-13-19)21(22)16-20/h10-13,20-23H,2-9,14-17H2,1H3,(H,26,28)
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1.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 49: 4589-94 (2006)


Article DOI: 10.1021/jm060287w
BindingDB Entry DOI: 10.7270/Q28053DM
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:19:6.7|
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
Transporter


(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 |THB:2:4:19:6.7|
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 |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
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)


BindingDB Entry DOI: 10.7270/Q20P10RR
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:19:6.7|
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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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)


BindingDB Entry DOI: 10.7270/Q2474BCV
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 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
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
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 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
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
Transporter


(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 |THB:2:4:18:6.7|
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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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
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 |THB:2:4:18:6.7,11:10:18:6.7|
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 0.2 nM [3H]paroxetine binding to Serotonin transporter


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


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 |THB:2:4:18:6.7,11:10:18:6.7|
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)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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 to Norepinephrine transporter


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


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


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


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(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 |TLB:0:1:4.3:7.8.6|
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
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 |THB:2:4:18:6.7,11:10:18:6.7|
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
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 |THB:2:4:18:6.7,11:10:18:6.7|
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22404
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)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1
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7.70n/an/an/a 45n/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
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 |THB:2:4:18:6.7,11:10:18:6.7|
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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8.40n/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)


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 |THB:2:4:18:6.7,11:10:18:6.7|
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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8.40n/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)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22405
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13|
Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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8.60n/an/an/a 38n/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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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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11.3n/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
Transporter


(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 |THB:2:4:18:6.7,11:10:18:6.7|
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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11.3n/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))
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 |THB:2:4:18:6.7,11:10:18:6.7|
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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12n/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


(Rattus norvegicus (rat))
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 |THB:2:4:18:6.7,11:10:18:6.7|
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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12n/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 dopamine transporter


(Homo sapiens (Human))
BDBM22399
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(F)cc1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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12n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22410
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C24H25BrN2S/c1-15-6-8-16(9-7-15)20-13-19-10-11-21(27(19)2)23(20)24-26-14-22(28-24)17-4-3-5-18(25)12-17/h3-9,12,14,19-21,23H,10-11,13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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12n/an/an/a 98n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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 |THB:2:4:19:6.7|
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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13.7n/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 dopamine transporter


(Homo sapiens (Human))
BDBM22412
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-8-16(9-7-15)20-13-18-10-11-21(26(18)2)23(20)24-25-14-22(30-24)17-4-3-5-19(12-17)27(28)29/h3-9,12,14,18,20-21,23H,10-11,13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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14n/an/an/a 23n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86233
PNG
(CAS_66104-22-1 | NSC_47812 | PERGOLIDE)
Show SMILES CCCN1CC(CSC)CC2C1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86236
PNG
(CAS_15897 | NSC_15897 | Norfenfluramine)
Show SMILES CC(N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
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15n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86235
PNG
(CAS_3066 | DHE | NSC_3066)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)
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15.2n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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 |THB:2:4:19:6.7|
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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17.1n/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 dopamine transporter


(Homo sapiens (Human))
BDBM22398
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)-c1ccccc1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19+,20+,22-/m0/s1
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18n/an/an/a 158n/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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50191341
PNG
(5,6,7,8,10,14a,15,16,17,18,19,19a-dodecahydro-20-m...)
Show SMILES CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
Show InChI InChI=1S/C22H30N2O3/c1-24-17-11-12-20(24)19-14-27-22(26)6-4-2-3-5-21(25)23-16-9-7-15(8-10-16)18(19)13-17/h7-10,17-20H,2-6,11-14H2,1H3,(H,23,25)
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET


J Med Chem 49: 4589-94 (2006)


Article DOI: 10.1021/jm060287w
BindingDB Entry DOI: 10.7270/Q28053DM
More data for this
Ligand-Target Pair
Transporter


(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 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
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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22n/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))
BDBM50035729
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3
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22n/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
Transporter


(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 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
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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22n/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))
BDBM50035729
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3
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22n/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
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