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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50048588   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.603n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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5.89n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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6.31n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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7.24n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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9.10n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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9.5n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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9.55n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223745
PNG
(CHEMBL153956)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3
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11n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223745
PNG
(CHEMBL153956)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3
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11.2n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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13n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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13.2n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223745
PNG
(CHEMBL153956)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3
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17.8n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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26n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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26.3n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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29.5n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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30n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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43.7n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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43.7n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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45.7n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223766
PNG
(CHEMBL155426)
Show SMILES COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1
Show InChI InChI=1S/C23H28N2O3/c1-27-19-7-8-20-18(15-19)13-17(14-22(20)26)16-24-9-11-25(12-10-24)21-5-3-4-6-23(21)28-2/h3-8,15,17H,9-14,16H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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64.6n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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104n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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141n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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148n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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151n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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162n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223747
PNG
(CHEMBL155257)
Show SMILES COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H27FN2O4/c1-30-23-11-17-9-15(10-21(29)20(17)13-24(23)31-2)14-28-7-5-16(6-8-28)25-19-4-3-18(26)12-22(19)32-27-25/h3-4,11-13,15-16H,5-10,14H2,1-2H3
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162n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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165n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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166n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223745
PNG
(CHEMBL153956)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3
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194n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409503
PNG
(CHEMBL310153)
Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
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204n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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213n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223744
PNG
(CHEMBL155486)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2
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214n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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223n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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224n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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224n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223766
PNG
(CHEMBL155426)
Show SMILES COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1
Show InChI InChI=1S/C23H28N2O3/c1-27-19-7-8-20-18(15-19)13-17(14-22(20)26)16-24-9-11-25(12-10-24)21-5-3-4-6-23(21)28-2/h3-8,15,17H,9-14,16H2,1-2H3
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224n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223746
PNG
(CHEMBL155388)
Show SMILES COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Show InChI InChI=1S/C25H28FNO4/c1-30-23-13-19-11-16(12-22(28)21(19)14-24(23)31-2)15-27-9-7-18(8-10-27)25(29)17-3-5-20(26)6-4-17/h3-6,13-14,16,18H,7-12,15H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223769
PNG
(CHEMBL155124)
Show SMILES O=C1CC(CN2CCN(CC2)c2ccccn2)Cc2ccccc12
Show InChI InChI=1S/C20H23N3O/c24-19-14-16(13-17-5-1-2-6-18(17)19)15-22-9-11-23(12-10-22)20-7-3-4-8-21-20/h1-8,16H,9-15H2
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398n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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436n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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437n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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457n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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490n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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501n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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501n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
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