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Compile Data Set for Download or QSAR

Found 77 hits from Centre de Recherches de Vitry-Alfortville   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(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
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 0.600n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 0.600n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 0.800n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 1.10n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 1.20n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 1.40n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 1.40n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 1.60n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 1.70n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058204
PNG
((S)-2-{[6-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES CSCC[C@H](NC(=O)c1cccc2cc(NC[C@@H](N)CS)ccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O3S2/c1-27-8-7-17(19(24)25)22-18(23)16-4-2-3-12-9-14(5-6-15(12)16)21-10-13(20)11-26/h2-6,9,13,17,21,26H,7-8,10-11,20H2,1H3,(H,22,23)(H,24,25)/t13-,17+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 2n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 4n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058199
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES CSCC[C@H](NC(=S)c1cccc2c(NC[C@@H](N)CS)cccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O2S3/c1-27-9-8-17(19(23)24)22-18(26)15-6-2-5-14-13(15)4-3-7-16(14)21-10-12(20)11-25/h2-7,12,17,21,25H,8-11,20H2,1H3,(H,22,26)(H,23,24)/t12-,17+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058202
PNG
((S)-2-[(2-{(S)-2-[((R)-2-Amino-3-mercapto-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](N)CS)C(O)=O
Show InChI InChI=1S/C24H36N4O5S2/c1-14(2)20(27(3)22(30)17(25)13-34)23(31)28-12-16-8-6-5-7-15(16)11-19(28)21(29)26-18(24(32)33)9-10-35-4/h5-8,14,17-20,34H,9-13,25H2,1-4H3,(H,26,29)(H,32,33)/t17-,18-,19-,20-/m0/s1
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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]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058208
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES CSCC[C@H](NC(=O)c1cccc2c(NC[C@@H](N)CS)cccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O3S2/c1-27-9-8-17(19(24)25)22-18(23)15-6-2-5-14-13(15)4-3-7-16(14)21-10-12(20)11-26/h2-7,12,17,21,26H,8-11,20H2,1H3,(H,22,23)(H,24,25)/t12-,17+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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n/an/a 6n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047099
PNG
(2-{3-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C27H27N3O3S/c1-33-21-9-10-24-22(17-21)23(18-28-24)19-11-15-29(16-12-19)13-4-14-30-25-7-2-5-20-6-3-8-26(27(20)25)34(30,31)32/h2-3,5-11,17-18,28H,4,12-16H2,1H3
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n/an/a 10n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047096
PNG
(2-{3-[4-(5-Bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES Brc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H24BrN3O2S/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 10n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047087
PNG
(1-(3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd...)
Show SMILES CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C28H27N3O3S/c1-20(32)30-19-24(23-9-2-3-10-25(23)30)21-13-17-29(18-14-21)15-6-16-31-26-11-4-7-22-8-5-12-27(28(22)26)35(31,33)34/h2-5,7-13,19H,6,14-18H2,1H3
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n/an/a 10n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047090
PNG
(3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...)
Show SMILES Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H25N3O3S/c30-20-8-9-23-21(16-20)22(17-27-23)18-10-14-28(15-11-18)12-3-13-29-24-6-1-4-19-5-2-7-25(26(19)24)33(29,31)32/h1-2,4-10,16-17,27,30H,3,11-15H2
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n/an/a 10n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 11n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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
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 13n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 15n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058200
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CSCC[C@H](NC(=S)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C22H34N4O4S3/c1-13(2)18(26-19(27)15(23)12-31)20(28)24-17(11-14-7-5-4-6-8-14)21(32)25-16(22(29)30)9-10-33-3/h4-8,13,15-18,31H,9-12,23H2,1-3H3,(H,24,28)(H,25,32)(H,26,27)(H,29,30)/t15-,16-,17-,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058204
PNG
((S)-2-{[6-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES CSCC[C@H](NC(=O)c1cccc2cc(NC[C@@H](N)CS)ccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O3S2/c1-27-8-7-17(19(24)25)22-18(23)16-4-2-3-12-9-14(5-6-15(12)16)21-10-13(20)11-26/h2-6,9,13,17,21,26H,7-8,10-11,20H2,1H3,(H,22,23)(H,24,25)/t13-,17+/m1/s1
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n/an/a 17.5n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ki-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047093
PNG
(CHEMBL19228 | Naphthalene-2-sulfonic acid {2-[4-(5...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30FN3O2S/c1-30(34(32,33)25-8-6-21-4-2-3-5-22(21)17-25)14-15-31-12-10-20(11-13-31)16-23-19-29-27-9-7-24(28)18-26(23)27/h2-9,17-20,29H,10-16H2,1H3
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n/an/a 20n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047096
PNG
(2-{3-[4-(5-Bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES Brc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H24BrN3O2S/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 22n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047093
PNG
(CHEMBL19228 | Naphthalene-2-sulfonic acid {2-[4-(5...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30FN3O2S/c1-30(34(32,33)25-8-6-21-4-2-3-5-22(21)17-25)14-15-31-12-10-20(11-13-31)16-23-19-29-27-9-7-24(28)18-26(23)27/h2-9,17-20,29H,10-16H2,1H3
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n/an/a 22n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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
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
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047090
PNG
(3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...)
Show SMILES Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H25N3O3S/c30-20-8-9-23-21(16-20)22(17-27-23)18-10-14-28(15-11-18)12-3-13-29-24-6-1-4-19-5-2-7-25(26(19)24)33(29,31)32/h1-2,4-10,16-17,27,30H,3,11-15H2
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n/an/a 25n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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
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 30n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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 31n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047084
PNG
(10-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5ccccc5-c5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C28H28FN3O2S/c29-22-9-10-26-25(18-22)21(19-30-26)17-20-11-13-31(14-12-20)15-16-32-27-7-3-1-5-23(27)24-6-2-4-8-28(24)35(32,33)34/h1-10,18-20,30H,11-17H2
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n/an/a 35n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM13373
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17-,18-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058195
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES CCCC[C@H](NC(=O)c1cccc2c(NC[C@@H](N)CS)cccc12)C(O)=O
Show InChI InChI=1S/C20H27N3O3S/c1-2-3-9-18(20(25)26)23-19(24)16-8-4-7-15-14(16)6-5-10-17(15)22-11-13(21)12-27/h4-8,10,13,18,22,27H,2-3,9,11-12,21H2,1H3,(H,23,24)(H,25,26)/t13-,18+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058198
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propionylamino)-...)
Show SMILES CSCC[C@H](NC(=O)c1cccc2c(NC(=O)[C@@H](N)CS)cccc12)C(O)=O
Show InChI InChI=1S/C19H23N3O4S2/c1-28-9-8-16(19(25)26)22-17(23)13-6-2-5-12-11(13)4-3-7-15(12)21-18(24)14(20)10-27/h2-7,14,16,27H,8-10,20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t14-,16-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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 56n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058197
PNG
((S)-2-{[6-((R)-2-Amino-3-mercapto-propionylamino)-...)
Show SMILES CSCC[C@H](NC(=O)c1cccc2cc(NC(=O)[C@@H](N)CS)ccc12)C(O)=O
Show InChI InChI=1S/C19H23N3O4S2/c1-28-8-7-16(19(25)26)22-17(23)14-4-2-3-11-9-12(5-6-13(11)14)21-18(24)15(20)10-27/h2-6,9,15-16,27H,7-8,10,20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t15-,16-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50058193
PNG
((S)-2-{[6-((R)-2-Amino-3-mercapto-propylamino)-nap...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)c1cccc2cc(NC[C@@H](N)CS)ccc12
Show InChI InChI=1S/C20H27N3O3S2/c1-26-20(25)18(8-9-28-2)23-19(24)17-5-3-4-13-10-15(6-7-16(13)17)22-11-14(21)12-27/h3-7,10,14,18,22,27H,8-9,11-12,21H2,1-2H3,(H,23,24)/t14-,18+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into human Ha-Ras by farnesyltransferase


J Med Chem 40: 1763-7 (1997)


Article DOI: 10.1021/jm9701177
BindingDB Entry DOI: 10.7270/Q2J1029S
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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
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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n/an/a 81n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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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n/an/a>100n/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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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
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)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
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