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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'formoso' and Initial = 'e'   
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


(Rattus norvegicus (rat))
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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1.60n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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3.30n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
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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7.60n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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9.10n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
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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20n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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141n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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263n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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562n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50403682
PNG
(CHEMBL121744)
Show SMILES COc1ccccc1N1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-21(23)27-12-10-26(11-13-27)16-17-14-20-24(22(28)15-17)18-6-2-3-7-19(18)25-20/h2-9,17,25H,10-16H2,1H3
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631n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50403682
PNG
(CHEMBL121744)
Show SMILES COc1ccccc1N1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-21(23)27-12-10-26(11-13-27)16-17-14-20-24(22(28)15-17)18-6-2-3-7-19(18)25-20/h2-9,17,25H,10-16H2,1H3
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1.55E+3n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50215389
PNG
(CHEMBL118477)
Show SMILES CCN(CC)CC1Cc2c(C(=O)C1)c1ccccc1n2C
Show InChI InChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-16-18(17(21)11-13)14-8-6-7-9-15(14)19(16)3/h6-9,13H,4-5,10-12H2,1-3H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50215377
PNG
(CHEMBL118947)
Show SMILES CCN(CC)CC1Cc2[nH]c3ccccc3c2C(=O)C1
Show InChI InChI=1S/C17H22N2O/c1-3-19(4-2)11-12-9-15-17(16(20)10-12)13-7-5-6-8-14(13)18-15/h5-8,12,18H,3-4,9-11H2,1-2H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50215378
PNG
(CHEMBL327038)
Show SMILES O=C1CC(CN2CCOCC2)Cc2[nH]c3ccccc3c12
Show InChI InChI=1S/C17H20N2O2/c20-16-10-12(11-19-5-7-21-8-6-19)9-15-17(16)13-3-1-2-4-14(13)18-15/h1-4,12,18H,5-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50215389
PNG
(CHEMBL118477)
Show SMILES CCN(CC)CC1Cc2c(C(=O)C1)c1ccccc1n2C
Show InChI InChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-16-18(17(21)11-13)14-8-6-7-9-15(14)19(16)3/h6-9,13H,4-5,10-12H2,1-3H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50215378
PNG
(CHEMBL327038)
Show SMILES O=C1CC(CN2CCOCC2)Cc2[nH]c3ccccc3c12
Show InChI InChI=1S/C17H20N2O2/c20-16-10-12(11-19-5-7-21-8-6-19)9-15-17(16)13-3-1-2-4-14(13)18-15/h1-4,12,18H,5-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50215377
PNG
(CHEMBL118947)
Show SMILES CCN(CC)CC1Cc2[nH]c3ccccc3c2C(=O)C1
Show InChI InChI=1S/C17H22N2O/c1-3-19(4-2)11-12-9-15-17(16(20)10-12)13-7-5-6-8-14(13)18-15/h5-8,12,18H,3-4,9-11H2,1-2H3
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<1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair