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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'zundel' and Initial = 'jl'   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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0.260n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Mus musculus-MOUSE)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 31: 966-70 (1988)


BindingDB Entry DOI: 10.7270/Q2XP775P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against histamine H1 receptor (in vitro)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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22n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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25n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against histamine H1 receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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29n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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38n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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70n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against 5-hydroxytryptamine 1A receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against 5-hydroxytryptamine 1A receptor (in vitro)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010041
PNG
(CHEMBL84087 | {1-[3-(1,1-Dioxo-1H-1lambda*6*-napht...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C25H25FN2O3S/c26-21-10-8-19(9-11-21)25(29)20-12-16-27(17-13-20)14-3-15-28-22-6-1-4-18-5-2-7-23(24(18)22)32(28,30)31/h1-2,4-11,20H,3,12-17H2
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n/an/a 0.100n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010048
PNG
(2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[...)
Show SMILES O=S1(=O)N(CCCN2CCC(CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C24H26N2O2S/c27-29(28)23-12-5-10-21-9-4-11-22(24(21)23)26(29)16-6-15-25-17-13-20(14-18-25)19-7-2-1-3-8-19/h1-5,7-12,20H,6,13-18H2
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n/an/a 0.200n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047103
PNG
(2-{3-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:10|
Show InChI InChI=1S/C26H25N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-12,18,27H,5,13-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010049
PNG
(4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...)
Show SMILES Oc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H25N3O3S/c27-20-10-8-19(9-11-20)25-16-14-24(15-17-25)12-3-13-26-21-6-1-4-18-5-2-7-22(23(18)21)30(26,28)29/h1-2,4-11,27H,3,12-17H2
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n/an/a 0.300n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047089
PNG
(2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H24FN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047108
PNG
(2-{2-[4-(6-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c[nH]c2c1
Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-22-20(17-28-23(22)16-21)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047092
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6CCCn(c56)c4=O)CC3)c2c1
Show InChI InChI=1S/C26H29FN4O/c27-21-6-7-23-22(16-21)20(17-28-23)15-18-8-11-29(12-9-18)13-14-30-24-5-1-3-19-4-2-10-31(25(19)24)26(30)32/h1,3,5-7,16-18,28H,2,4,8-15H2
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n/an/a 0.400n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047100
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
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n/an/a 0.400n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010038
PNG
(2-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...)
Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against dopamine receptor D2 (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047097
PNG
(2-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:9|
Show InChI InChI=1S/C25H23N3O2S/c29-31(30)24-10-4-6-19-5-3-9-23(25(19)24)28(31)16-15-27-13-11-18(12-14-27)21-17-26-22-8-2-1-7-20(21)22/h1-11,17,26H,12-16H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047086
PNG
(2-{3-[4-(1-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H27N3O2S/c1-28-19-23(22-9-2-3-10-24(22)28)20-13-17-29(18-14-20)15-6-16-30-25-11-4-7-21-8-5-12-26(27(21)25)33(30,31)32/h2-5,7-13,19H,6,14-18H2,1H3
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047110
PNG
(2-{4-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:11|
Show InChI InChI=1S/C27H27N3O2S/c31-33(32)26-12-6-8-21-7-5-11-25(27(21)26)30(33)16-4-3-15-29-17-13-20(14-18-29)23-19-28-24-10-2-1-9-22(23)24/h1-2,5-13,19,28H,3-4,14-18H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50229423
PNG
(CHEMBL82229)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010040
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:10|
Show InChI InChI=1S/C24H24N2O2S/c27-29(28)23-12-5-10-21-9-4-11-22(24(21)23)26(29)16-6-15-25-17-13-20(14-18-25)19-7-2-1-3-8-19/h1-5,7-13H,6,14-18H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047091
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-3,6-dihydro...)
Show SMILES Fc1ccc2[nH]cc(CC3=CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:9|
Show InChI InChI=1S/C26H24FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-9,16-17,28H,10-15H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047098
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047105
PNG
(2-(2-{4-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-piperid...)
Show SMILES Fc1ccc2[nH]cc(CCC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C27H28FN3O2S/c28-22-9-10-24-23(17-22)21(18-29-24)8-7-19-11-13-30(14-12-19)15-16-31-25-5-1-3-20-4-2-6-26(27(20)25)34(31,32)33/h1-6,9-10,17-19,29H,7-8,11-16H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047106
PNG
(2-{3-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H24ClN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047102
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc4c56)CC3)c2c1
Show InChI InChI=1S/C27H26FN3O/c28-21-7-8-24-23(16-21)20(17-29-24)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-22(26(19)25)27(31)32/h1-8,16-18,29H,9-15H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047109
PNG
(2-{3-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C27H28FN3O2S/c28-22-8-9-24-23(17-22)21(18-29-24)16-19-10-14-30(15-11-19)12-3-13-31-25-6-1-4-20-5-2-7-26(27(20)25)34(31,32)33/h1-2,4-9,17-19,29H,3,10-16H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010052
PNG
(2-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:11|
Show InChI InChI=1S/C25H26N2O2S/c28-30(29)24-13-7-11-22-10-6-12-23(25(22)24)27(30)17-5-4-16-26-18-14-21(15-19-26)20-8-2-1-3-9-20/h1-3,6-14H,4-5,15-19H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010033
PNG
(2-[3-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-prop...)
Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2noc3ccccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H24N4O3S/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010057
PNG
(2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2H-naphtho[...)
Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C23H25N3O2S/c27-29(28)22-12-5-8-19-7-4-11-21(23(19)22)26(29)14-6-13-24-15-17-25(18-16-24)20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010047
PNG
(2-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccccc1N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-1-2-9-20(19)26-16-14-25(15-17-26)12-5-13-27-21-10-3-6-18-7-4-11-22(23(18)21)30(27,28)29/h1-4,6-11H,5,12-17H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010061
PNG
(2-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-2...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H26FN3O2S/c25-20-9-11-21(12-10-20)27-17-15-26(16-18-27)13-1-2-14-28-22-7-3-5-19-6-4-8-23(24(19)22)31(28,29)30/h3-12H,1-2,13-18H2
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047107
PNG
(2-{2-[4-(5-Fluoro-1H-indol-2-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)cc2c1
Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-20(16-21)17-22(28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010034
PNG
(2-[3-(4-p-Tolyl-piperazin-1-yl)-propyl]-2H-naphtho...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H27N3O2S/c1-19-9-11-21(12-10-19)26-17-15-25(16-18-26)13-4-14-27-22-7-2-5-20-6-3-8-23(24(20)22)30(27,28)29/h2-3,5-12H,4,13-18H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047095
PNG
(2-{3-[4-(1H-Indol-3-yl)-piperidin-1-yl]-propyl}-2H...)
Show SMILES O=S1(=O)N(CCCN2CCC(CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C26H27N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-11,18-19,27H,5,12-17H2
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n/an/a 4.60n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010042
PNG
(2-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24ClN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047085
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperazin-1...)
Show SMILES Fc1ccc2[nH]cc(CN3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C25H25FN4O2S/c26-20-7-8-22-21(15-20)19(16-27-22)17-29-11-9-28(10-12-29)13-14-30-23-5-1-3-18-4-2-6-24(25(18)23)33(30,31)32/h1-8,15-16,27H,9-14,17H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047088
PNG
(2-{2-[4-(3H-Inden-1-ylmethyl)-piperidin-1-yl]-ethy...)
Show SMILES O=S1(=O)N(CCN2CCC(CC3=CCc4ccccc34)CC2)c2cccc3cccc1c23 |t:11|
Show InChI InChI=1S/C27H28N2O2S/c30-32(31)26-10-4-7-22-6-3-9-25(27(22)26)29(32)18-17-28-15-13-20(14-16-28)19-23-12-11-21-5-1-2-8-24(21)23/h1-10,12,20H,11,13-19H2
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010037
PNG
(CHEMBL79598 | N-Naphthalen-1-yl-N-[3-(4-phenyl-3,6...)
Show SMILES CS(=O)(=O)N(CCCN1CCC(=CC1)c1ccccc1)c1cccc2ccccc12 |c:11|
Show InChI InChI=1S/C25H28N2O2S/c1-30(28,29)27(25-14-7-12-23-11-5-6-13-24(23)25)18-8-17-26-19-15-22(16-20-26)21-9-3-2-4-10-21/h2-7,9-15H,8,16-20H2,1H3
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n/an/a 5.10n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047094
PNG
(2-{2-[4-(4-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1cccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c12
Show InChI InChI=1S/C26H26FN3O2S/c27-21-6-3-7-22-25(21)20(17-28-22)16-18-10-12-29(13-11-18)14-15-30-23-8-1-4-19-5-2-9-24(26(19)23)33(30,31)32/h1-9,17-18,28H,10-16H2
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Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010055
PNG
(2-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propyl]-2H-na...)
Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ccccn2)c2cccc3cccc1c23
Show InChI InChI=1S/C22H24N4O2S/c27-29(28)20-9-4-7-18-6-3-8-19(22(18)20)26(29)13-5-12-24-14-16-25(17-15-24)21-10-1-2-11-23-21/h1-4,6-11H,5,12-17H2
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n/an/a 6.30n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010043
PNG
(2-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:9|
Show InChI InChI=1S/C23H22N2O2S/c26-28(27)22-11-5-9-20-8-4-10-21(23(20)22)25(28)17-16-24-14-12-19(13-15-24)18-6-2-1-3-7-18/h1-12H,13-17H2
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n/an/a 6.30n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010054
PNG
(1-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c30-25-26-20-8-1-2-9-21(20)29(25)19-12-16-27(17-13-19)14-5-15-28-22-10-3-6-18-7-4-11-23(24(18)22)33(28,31)32/h1-4,6-11,19H,5,12-17H2,(H,26,30)
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Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL




J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
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