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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'de angelis' and Initial = 'f'   
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 1A


(Rattus norvegicus (rat))
BDBM50346374
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)
Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
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0.000178n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316964
PNG
(CHEMBL1086961 | N'-cyano-N-(3-(4-(pyridin-2-yl)pip...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1 |w:4.4|
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24)
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0.0380n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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0.293n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011247
PNG
(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.850n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.850n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300166
PNG
(CHEMBL566533 | Ethyl 5-(3-(4-(3-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(Cl)c3)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-16-18-15-21(7-8-22(18)26-23)31-14-4-9-27-10-12-28(13-11-27)20-6-3-5-19(25)17-20/h3,5-8,15-17,26H,2,4,9-14H2,1H3
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1.28n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316960
PNG
(CHEMBL1099374 | N'-cyano-N-(3-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:15.15|
Show InChI InChI=1S/C21H26N6O/c1-28-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-9-24-21(25-17-22)18-7-10-23-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,24,25)
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1.47n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
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1.58n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346374
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)
Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
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5.29n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1 |w:4.4|
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(H,27,28)
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5.85n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:14.14|
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,25)
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6.17n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50346376
PNG
(3-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propyl)ben...)
Show SMILES O=c1n(CCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C24H25N5O/c30-24-21-10-3-4-11-22(21)25-26-29(24)14-6-13-27-15-17-28(18-16-27)23-12-5-8-19-7-1-2-9-20(19)23/h1-5,7-12H,6,13-18H2
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7.79n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:16.16|
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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11.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50300170
PNG
(CHEMBL568284 | Ethyl 5-(3-(4-(4-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)cc3)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-17-18-16-21(8-9-22(18)26-23)31-15-3-10-27-11-13-28(14-12-27)20-6-4-19(25)5-7-20/h4-9,16-17,26H,2-3,10-15H2,1H3
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14n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:16.16|
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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21.3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50300159
PNG
(CHEMBL583422 | Ethyl 5-(3-(4-((benzo[d][1,3]dioxol...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5OCOc5c4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H31N3O5/c1-2-31-26(30)23-16-20-15-21(5-6-22(20)27-23)32-13-3-8-28-9-11-29(12-10-28)17-19-4-7-24-25(14-19)34-18-33-24/h4-7,14-16,27H,2-3,8-13,17-18H2,1H3
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26.1n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50316966
PNG
(CHEMBL1086959 | N'-cyano-N-(3-(4-(3-(trifluorometh...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:17.17|
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)18-3-1-4-19(15-18)30-13-11-29(12-14-30)10-2-7-27-20(28-16-25)17-5-8-26-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,27,28)
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32.1n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50300165
PNG
(CHEMBL566331 | Ethyl 5-(3-(4-(3,4-dichlorophenyl)p...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc2[nH]1
Show InChI InChI=1S/C25H28F3N3O3/c1-2-33-24(32)23-16-18-15-21(7-8-22(18)29-23)34-14-4-9-30-10-12-31(13-11-30)20-6-3-5-19(17-20)25(26,27)28/h3,5-8,15-17,29H,2,4,9-14H2,1H3
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35.8n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50300166
PNG
(CHEMBL566533 | Ethyl 5-(3-(4-(3-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(Cl)c3)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-16-18-15-21(7-8-22(18)26-23)31-14-4-9-27-10-12-28(13-11-27)20-6-3-5-19(25)17-20/h3,5-8,15-17,26H,2,4,9-14H2,1H3
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39n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300162
PNG
(CHEMBL586050 | Ethyl 5-(3-(4-(2-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3Cl)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)22-17-18-16-19(8-9-21(18)26-22)31-15-5-10-27-11-13-28(14-12-27)23-7-4-3-6-20(23)25/h3-4,6-9,16-17,26H,2,5,10-15H2,1H3
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39.7n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300159
PNG
(CHEMBL583422 | Ethyl 5-(3-(4-((benzo[d][1,3]dioxol...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5OCOc5c4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H31N3O5/c1-2-31-26(30)23-16-20-15-21(5-6-22(20)27-23)32-13-3-8-28-9-11-29(12-10-28)17-19-4-7-24-25(14-19)34-18-33-24/h4-7,14-16,27H,2-3,8-13,17-18H2,1H3
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43.6n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300170
PNG
(CHEMBL568284 | Ethyl 5-(3-(4-(4-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)cc3)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-17-18-16-21(8-9-22(18)26-23)31-15-3-10-27-11-13-28(14-12-27)20-6-4-19(25)5-7-20/h4-9,16-17,26H,2-3,10-15H2,1H3
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45.1n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300160
PNG
(CHEMBL565707 | Ethyl 5-(3-(4-(4-methoxyphenyl)pipe...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(OC)cc3)ccc2[nH]1
Show InChI InChI=1S/C25H31N3O4/c1-3-31-25(29)24-18-19-17-22(9-10-23(19)26-24)32-16-4-11-27-12-14-28(15-13-27)20-5-7-21(30-2)8-6-20/h5-10,17-18,26H,3-4,11-16H2,1-2H3
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50.4n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50346380
PNG
(3-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)be...)
Show SMILES O=c1n(OCCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C24H25N5O2/c30-24-21-10-3-4-11-22(21)25-26-29(24)31-18-6-13-27-14-16-28(17-15-27)23-12-5-8-19-7-1-2-9-20(19)23/h1-5,7-12H,6,13-18H2
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85.4n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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91.8n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316969
PNG
(CHEMBL1087319 | N'-cyano-N-(3-(4-(2,3-dimethylphen...)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccncc3)CC2)c1C |w:13.12|
Show InChI InChI=1S/C22H28N6/c1-18-5-3-6-21(19(18)2)28-15-13-27(14-16-28)12-4-9-25-22(26-17-23)20-7-10-24-11-8-20/h3,5-8,10-11H,4,9,12-16H2,1-2H3,(H,25,26)
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101n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300167
PNG
(CHEMBL567649 | Ethyl 5-(3-(4-(pyridin-2-yl)piperaz...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2[nH]1
Show InChI InChI=1S/C23H28N4O3/c1-2-29-23(28)21-17-18-16-19(7-8-20(18)25-21)30-15-5-10-26-11-13-27(14-12-26)22-6-3-4-9-24-22/h3-4,6-9,16-17,25H,2,5,10-15H2,1H3
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104n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
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113n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346376
PNG
(3-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propyl)ben...)
Show SMILES O=c1n(CCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C24H25N5O/c30-24-21-10-3-4-11-22(21)25-26-29(24)14-6-13-27-15-17-28(18-16-27)23-12-5-8-19-7-1-2-9-20(19)23/h1-5,7-12H,6,13-18H2
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127n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316966
PNG
(CHEMBL1086959 | N'-cyano-N-(3-(4-(3-(trifluorometh...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:17.17|
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)18-3-1-4-19(15-18)30-13-11-29(12-14-30)10-2-7-27-20(28-16-25)17-5-8-26-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,27,28)
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141n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316968
PNG
(CHEMBL1087444 | N-(3-(4-(2-chlorophenyl)piperazin-...)
Show SMILES Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:14.14|
Show InChI InChI=1S/C20H23ClN6/c21-18-4-1-2-5-19(18)27-14-12-26(13-15-27)11-3-8-24-20(25-16-22)17-6-9-23-10-7-17/h1-2,4-7,9-10H,3,8,11-15H2,(H,24,25)
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166n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316965
PNG
(CHEMBL1086960 | N'-cyano-N-(3-(4-(pyrimidin-2-yl)p...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccncc1 |w:4.4|
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-3-8-20-9-4-16)21-7-2-10-25-11-13-26(14-12-25)18-22-5-1-6-23-18/h1,3-6,8-9H,2,7,10-14H2,(H,21,24)
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172n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346381
PNG
(CHEMBL1783352 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1 |w:4.4|
Show InChI InChI=1S/C24H26N6/c25-19-28-24(21-9-12-26-13-10-21)27-11-4-14-29-15-17-30(18-16-29)23-8-3-6-20-5-1-2-7-22(20)23/h1-3,5-10,12-13H,4,11,14-18H2,(H,27,28)
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172n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1 |w:4.4|
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(H,27,28)
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224n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300168
PNG
(CHEMBL565484 | Ethyl 5-(3-(4-(4-nitrophenyl)pipera...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)ccc2[nH]1
Show InChI InChI=1S/C24H28N4O5/c1-2-32-24(29)23-17-18-16-21(8-9-22(18)25-23)33-15-3-10-26-11-13-27(14-12-26)19-4-6-20(7-5-19)28(30)31/h4-9,16-17,25H,2-3,10-15H2,1H3
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247n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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263n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50300169
PNG
(CHEMBL584919 | Ethyl 5-(3-(4-(2-furoyl)piperazin-1...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)C(=O)c3ccco3)ccc2[nH]1
Show InChI InChI=1S/C23H27N3O5/c1-2-29-23(28)20-16-17-15-18(6-7-19(17)24-20)30-14-4-8-25-9-11-26(12-10-25)22(27)21-5-3-13-31-21/h3,5-7,13,15-16,24H,2,4,8-12,14H2,1H3
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309n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50300167
PNG
(CHEMBL567649 | Ethyl 5-(3-(4-(pyridin-2-yl)piperaz...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2[nH]1
Show InChI InChI=1S/C23H28N4O3/c1-2-29-23(28)21-17-18-16-19(7-8-20(18)25-21)30-15-5-10-26-11-13-27(14-12-26)22-6-3-4-9-24-22/h3-4,6-9,16-17,25H,2,5,10-15H2,1H3
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344n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50122836
PNG
(CHEMBL102993 | [3-Carboxy-2-(3-tetradecyl-ureido)-...)
Show SMILES CCCCCCCCCCCCCCNC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m0/s1
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360n/an/an/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver carnitine palmitoyltransferase I


J Med Chem 46: 303-9 (2003)


Article DOI: 10.1021/jm020979u
BindingDB Entry DOI: 10.7270/Q2N015WM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50300169
PNG
(CHEMBL584919 | Ethyl 5-(3-(4-(2-furoyl)piperazin-1...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)C(=O)c3ccco3)ccc2[nH]1
Show InChI InChI=1S/C23H27N3O5/c1-2-29-23(28)20-16-17-15-18(6-7-19(17)24-20)30-14-4-8-25-9-11-26(12-10-25)22(27)21-5-3-13-31-21/h3,5-7,13,15-16,24H,2,4,8-12,14H2,1H3
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452n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50300162
PNG
(CHEMBL586050 | Ethyl 5-(3-(4-(2-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3Cl)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)22-17-18-16-19(8-9-21(18)26-22)31-15-5-10-27-11-13-28(14-12-27)23-7-4-3-6-20(23)25/h3-4,6-9,16-17,26H,2,5,10-15H2,1H3
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537n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346380
PNG
(3-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)be...)
Show SMILES O=c1n(OCCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C24H25N5O2/c30-24-21-10-3-4-11-22(21)25-26-29(24)31-18-6-13-27-14-16-28(17-15-27)23-12-5-8-19-7-1-2-9-20(19)23/h1-5,7-12H,6,13-18H2
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721n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50300166
PNG
(CHEMBL566533 | Ethyl 5-(3-(4-(3-chlorophenyl)piper...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(Cl)c3)ccc2[nH]1
Show InChI InChI=1S/C24H28ClN3O3/c1-2-30-24(29)23-16-18-15-21(7-8-22(18)26-23)31-14-4-9-27-10-12-28(13-11-27)20-6-3-5-19(25)17-20/h3,5-8,15-17,26H,2,4,9-14H2,1H3
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1.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 in rat striatum by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346379
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethoxy)ben...)
Show SMILES O=c1n(OCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c29-23-20-9-3-4-10-21(20)24-25-28(23)30-17-16-26-12-14-27(15-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
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1.32E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50346381
PNG
(CHEMBL1783352 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1 |w:4.4|
Show InChI InChI=1S/C24H26N6/c25-19-28-24(21-9-12-26-13-10-21)27-11-4-14-29-15-17-30(18-16-29)23-8-3-6-20-5-1-2-7-22(20)23/h1-3,5-10,12-13H,4,11,14-18H2,(H,27,28)
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:14.14|
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,25)
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1.63E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:16.16|
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50300165
PNG
(CHEMBL566331 | Ethyl 5-(3-(4-(3,4-dichlorophenyl)p...)
Show SMILES CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc2[nH]1
Show InChI InChI=1S/C25H28F3N3O3/c1-2-33-24(32)23-16-18-15-21(7-8-22(18)29-23)34-14-4-9-30-10-12-31(13-11-30)20-6-3-5-19(17-20)25(26,27)28/h3,5-8,15-17,29H,2,4,9-14H2,1H3
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3.61E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting


Eur J Med Chem 45: 752-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.023
BindingDB Entry DOI: 10.7270/Q2445MJR
More data for this
Ligand-Target Pair
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