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Compile Data Set for Download or QSAR

Found 516 hits with Last Name = 'fu' and Initial = 'x'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160893
PNG
(8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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0.0170n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160892
PNG
(3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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0.110n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160894
PNG
(8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160898
PNG
(3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.300n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor in humans


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175634
PNG
(CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor in humans


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160895
PNG
(3-[4-(5-Bromo-thiophen-2-yl)-phenyl]-8-methyl-8-az...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
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0.380n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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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0.460n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175640
PNG
(3-(3'-fluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C |TLB:25:24:6.7:4.10.9,THB:2:4:6.7:24,11:10:6.7:24|
Show InChI InChI=1S/C22H24FNO2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113325
PNG
((4-Fluoro-phenyl)-{1-[2-(3-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2
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0.510n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160889
PNG
(3-[4-(5-Chloro-thiophen-2-yl)-phenyl]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22ClNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
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0.640n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113330
PNG
((4-Fluoro-phenyl)-{1-[2-(2-iodo-phenyl)-ethyl]-pip...)
Show SMILES OC(C1CCN(CCc2ccccc2I)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17,20,24H,9-14H2
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0.910n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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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0.960n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175648
PNG
(CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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1.13n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113333
PNG
((4-Nitro-phenyl)-(1-phenethyl-piperidin-4-yl)-meth...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O3/c23-20(17-6-8-19(9-7-17)22(24)25)18-11-14-21(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18,20,23H,10-15H2
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1.15n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50113331
PNG
((4-Fluoro-phenyl)-{1-[2-(2-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
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1.30n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at Dopamine receptor D2 using rat caudate cells with nemonapride (0.075 nM) as a radioligand and 10 M haloperidol as a blank ag...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175642
PNG
(CHEMBL199743 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2 |THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C21H24N2O3/c1-25-17-9-15(11-22-12-17)13-3-5-14(6-4-13)18-10-16-7-8-19(23-16)20(18)21(24)26-2/h3-6,9,11-12,16,18-20,23H,7-8,10H2,1-2H3
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1.56n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113329
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES OC(C1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H23F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17,20,24H,9-14H2
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1.63n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175647
PNG
(CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3
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1.67n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113331
PNG
((4-Fluoro-phenyl)-{1-[2-(2-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
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1.95n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
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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2.80n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175643
PNG
(CHEMBL199634 | methyl 8-methyl-3-(4-(pyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
Show InChI InChI=1S/C21H24N2O2/c1-23-17-9-10-19(23)20(21(24)25-2)18(12-17)15-7-5-14(6-8-15)16-4-3-11-22-13-16/h3-8,11,13,17-20H,9-10,12H2,1-2H3
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3.51n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113324
PNG
((4-Fluoro-phenyl)-{1-[2-(4-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccc(I)cc2)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-5-3-16(4-6-18)20(24)17-10-13-23(14-11-17)12-9-15-1-7-19(22)8-2-15/h1-8,17H,9-14H2
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3.62n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50113331
PNG
((4-Fluoro-phenyl)-{1-[2-(2-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
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3.68n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 7 receptor incubated with 1 nM [3H]-LSD


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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3.76n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175639
PNG
(CHEMBL199850 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C22H26N2O3/c1-24-17-8-9-20(24)21(22(25)27-3)19(11-17)15-6-4-14(5-7-15)16-10-18(26-2)13-23-12-16/h4-7,10,12-13,17,19-21H,8-9,11H2,1-3H3
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3.91n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160897
PNG
(3-[4-(4-Bromo-thiophen-3-yl)-phenyl]-8-methyl-8-az...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cscc1Br)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-18(22)19(20(23)24-2)15(9-14)12-3-5-13(6-4-12)16-10-25-11-17(16)21/h3-6,10-11,14-15,18-19H,7-9H2,1-2H3
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4.02n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160889
PNG
(3-[4-(5-Chloro-thiophen-2-yl)-phenyl]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22ClNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
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4.42n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160890
PNG
(3-[4-(5-Iodo-thiophen-2-yl)-phenyl]-8-methyl-8-aza...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22INO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
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4.56n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175636
PNG
(CHEMBL381418 | methyl 3-(4-(thiazol-2-yl)phenyl)-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C18H20N2O2S/c1-22-18(21)16-14(10-13-6-7-15(16)20-13)11-2-4-12(5-3-11)17-19-8-9-23-17/h2-5,8-9,13-16,20H,6-7,10H2,1H3
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5.15n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160898
PNG
(3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160895
PNG
(3-[4-(5-Bromo-thiophen-2-yl)-phenyl]-8-methyl-8-az...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
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6.43n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50175648
PNG
(CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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7.14n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50113324
PNG
((4-Fluoro-phenyl)-{1-[2-(4-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccc(I)cc2)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-5-3-16(4-6-18)20(24)17-10-13-23(14-11-17)12-9-15-1-7-19(22)8-2-15/h1-8,17H,9-14H2
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7.32n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 7 receptor incubated with 1 nM [3H]-LSD


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50113325
PNG
((4-Fluoro-phenyl)-{1-[2-(3-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2
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8.76n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 7 receptor incubated with 1 nM [3H]-LSD


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113339
PNG
((4-Nitro-phenyl)-(1-phenethyl-piperidin-4-yl)-meth...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O3/c23-20(17-6-8-19(9-7-17)22(24)25)18-11-14-21(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2
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9.34n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
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9.54n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175637
PNG
(CHEMBL383572 | methyl 8-methyl-3-(4-(pyrazin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
Show InChI InChI=1S/C20H23N3O2/c1-23-15-7-8-18(23)19(20(24)25-2)16(11-15)13-3-5-14(6-4-13)17-12-21-9-10-22-17/h3-6,9-10,12,15-16,18-19H,7-8,11H2,1-2H3
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11.3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160893
PNG
(8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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12.1n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160892
PNG
(3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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12.2n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113328
PNG
((4-Fluoro-phenyl)-[1-(3-iodo-benzyl)-piperidin-4-y...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(Cc2cccc(I)c2)CC1
Show InChI InChI=1S/C19H19FINO/c20-17-6-4-15(5-7-17)19(23)16-8-10-22(11-9-16)13-14-2-1-3-18(21)12-14/h1-7,12,16H,8-11,13H2
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12.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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12.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50113340
PNG
((4-Fluoro-phenyl)-{1-[2-(3-iodo-phenyl)-ethyl]-pip...)
Show SMILES OC(C1CCN(CCc2cccc(I)c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17,20,24H,8-13H2
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13.1n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50175634
PNG
(CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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14.2n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50113325
PNG
((4-Fluoro-phenyl)-{1-[2-(3-iodo-phenyl)-ethyl]-pip...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
Show InChI InChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2
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16.6n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on transfected cell membranes selectively expressing human 5-hydroxytryptamine 2C receptor using [3H]-mesulergine


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50175649
PNG
(CHEMBL199512 | methyl 8-methyl-3-(4-(quinolin-3-yl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C |TLB:28:27:6.7:4.10.9,THB:2:4:6.7:27,11:10:6.7:27|
Show InChI InChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
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