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Compile Data Set for Download or QSAR

Found 144 hits of ic50 data for polymerid = 49000046,7883   
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


(BOVINE)		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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n/an/a 3n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor was determined using [ [3H]spiperone radioligand

J Med Chem 38: 1119-31 (1995)


BindingDB Entry DOI: 10.7270/Q2S75H08
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		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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n/an/a 30n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064575
PNG
(6-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-3H-benzothia...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3ccccc3)cc2s1
Show InChI InChI=1S/C19H21N3OS/c23-19-20-17-7-6-15(14-18(17)24-19)8-9-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,20,23)
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n/an/a 40n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064572
PNG
(3-Methyl-6-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C20H23N3OS/c1-21-18-8-7-16(15-19(18)25-20(21)24)9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064578
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-27-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-5-4-6-17-9-10-18-21(16-17)28-22(26)23-18/h2-3,7-10,16H,4-6,11-15H2,1H3,(H,23,26)
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n/an/a 150n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064573
PNG
(6-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H20F3N3OS/c21-20(22,23)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-17-18(12-14)28-19(27)24-17/h1-5,12-13H,6-11H2,(H,24,27)
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n/an/a 200n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064579
PNG
(6-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
Show InChI InChI=1S/C20H22FN3OS/c1-22-18-7-2-15(14-19(18)26-20(22)25)8-9-23-10-12-24(13-11-23)17-5-3-16(21)4-6-17/h2-7,14H,8-13H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 290n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064587
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)9-8-15-6-7-16-19(14-15)26-20(24)21-16/h2-7,14H,8-13H2,1H3,(H,21,24)
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n/an/a 300n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064581
PNG
(3-Methyl-6-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C23H26F3N3OS/c1-27-20-9-8-17(15-21(20)31-22(27)30)5-2-3-10-28-11-13-29(14-12-28)19-7-4-6-18(16-19)23(24,25)26/h4,6-9,15-16H,2-3,5,10-14H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064588
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-22-18-8-7-16(15-20(18)27-21(22)25)9-10-23-11-13-24(14-12-23)17-5-3-4-6-19(17)26-2/h3-8,15H,9-14H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064585
PNG
(6-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Oc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C19H21N3O2S/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)8-7-14-5-6-15-18(13-14)25-19(24)20-15/h1-6,13,23H,7-12H2,(H,20,24)
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n/an/a 530n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064590
PNG
(6-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H24F3N3OS/c23-22(24,25)17-5-3-6-18(15-17)28-12-10-27(11-13-28)9-2-1-4-16-7-8-19-20(14-16)30-21(29)26-19/h3,5-8,14-15H,1-2,4,9-13H2,(H,26,29)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064576
PNG
(7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064586
PNG
(3-Methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C21H22F3N3OS/c1-25-18-6-5-15(13-19(18)29-20(25)28)7-8-26-9-11-27(12-10-26)17-4-2-3-16(14-17)21(22,23)24/h2-6,13-14H,7-12H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against 5-hydroxytryptamine 2 receptor by using [3H]-ketanserin as radioligand

J Med Chem 34: 3085-90 (1991)


BindingDB Entry DOI: 10.7270/Q2FN155W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064584
PNG
(4-Methyl-7-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H28F3N3O2/c1-28-21-9-8-18(15-22(21)32-17-23(28)31)5-2-3-10-29-11-13-30(14-12-29)20-7-4-6-19(16-20)24(25,26)27/h4,6-9,15-16H,2-3,5,10-14,17H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064574
PNG
(4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C22H24F3N3O2/c1-26-19-6-5-16(13-20(19)30-15-21(26)29)7-8-27-9-11-28(12-10-27)18-4-2-3-17(14-18)22(23,24)25/h2-6,13-14H,7-12,15H2,1H3
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n/an/a 620n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036856
PNG
(8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H36N2O4/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064577
PNG
(7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-25-20-11-10-19(17-23(20)30-18-24(25)28)7-5-6-12-26-13-15-27(16-14-26)21-8-3-4-9-22(21)29-2/h3-4,8-11,17H,5-7,12-16,18H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407750
PNG
(CHEMBL261977)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C22H22N4S/c1-2-6-18(7-3-1)8-4-11-24-13-15-25(16-14-24)21-20-9-5-12-26(20)22-19(23-21)10-17-27-22/h1-10,12,17H,11,13-16H2/b8-4+
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n/an/a 851n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407785
PNG
(CHEMBL62274)
Show SMILES C=CCN1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C16H18N4S/c1-2-6-18-8-10-19(11-9-18)15-14-4-3-7-20(14)16-13(17-15)5-12-21-16/h2-5,7,12H,1,6,8-11H2
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n/an/a 851n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064583
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3
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n/an/a 910n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407773
PNG
(CHEMBL65736)
Show SMILES C(C1CC1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C17H20N4S/c1-2-15-16(18-14-5-11-22-17(14)21(15)6-1)20-9-7-19(8-10-20)12-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10,12H2
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n/an/a 933n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064589
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-24-20-11-10-18(17-22(20)29-23(24)27)7-5-6-12-25-13-15-26(16-14-25)19-8-3-4-9-21(19)28-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036870
PNG
(8-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-8-aza-sp...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C23H32N2O4/c1-28-19-7-6-8-20-18(19)13-17(16-29-20)24-11-4-5-12-25-21(26)14-23(15-22(25)27)9-2-3-10-23/h6-8,17,24H,2-5,9-16H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407754
PNG
(CHEMBL64948)
Show SMILES CCCN1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C16H20N4S/c1-2-6-18-8-10-19(11-9-18)15-14-4-3-7-20(14)16-13(17-15)5-12-21-16/h3-5,7,12H,2,6,8-11H2,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50064582
PNG
(6-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccccc3O)cc2sc1=O
Show InChI InChI=1S/C20H23N3O2S/c1-21-17-7-6-15(14-19(17)26-20(21)25)8-9-22-10-12-23(13-11-22)16-4-2-3-5-18(16)24/h2-7,14,24H,8-13H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407767
PNG
(CHEMBL65974)
Show SMILES CN1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C14H16N4S/c1-16-6-8-17(9-7-16)13-12-3-2-5-18(12)14-11(15-13)4-10-19-14/h2-5,10H,6-9H2,1H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50408150
PNG
(CHEMBL415933)
Show SMILES COc1ccc2c(c1)nc(N1CCN(CCCCn3cccn3)CC1)c1cccn21
Show InChI InChI=1S/C23H28N6O/c1-30-19-7-8-21-20(18-19)25-23(22-6-4-13-29(21)22)27-16-14-26(15-17-27)10-2-3-11-28-12-5-9-24-28/h4-9,12-13,18H,2-3,10-11,14-17H2,1H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand

J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407760
PNG
(CHEMBL68390)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C20H17F3N4S/c21-20(22,23)14-3-1-4-15(13-14)25-8-10-26(11-9-25)18-17-5-2-7-27(17)19-16(24-18)6-12-28-19/h1-7,12-13H,8-11H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036851
PNG
(8-[4-(Chroman-3-yl-propyl-amino)-butyl]-8-aza-spir...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
Show InChI InChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036855
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H36N2O3/c1-3-12-25(19-15-21-22(28-2)10-7-11-23(21)29-17-19)13-4-5-14-26-16-18-8-6-9-20(18)24(26)27/h7,10-11,18-20H,3-6,8-9,12-17H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407774
PNG
(CHEMBL302225)
Show SMILES CN1CCN(CC1)c1nc2sccc2n2cccc12
Show InChI InChI=1S/C14H16N4S/c1-16-6-8-17(9-7-16)13-11-3-2-5-18(11)12-4-10-19-14(12)15-13/h2-5,10H,6-9H2,1H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407784
PNG
(CHEMBL51118)
Show SMILES C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
Show InChI InChI=1S/C16H18N4S/c1-2-6-18-8-10-19(11-9-18)15-13-4-3-7-20(13)14-5-12-21-16(14)17-15/h2-5,7,12H,1,6,8-11H2
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n/an/a 2.34E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand

J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407784
PNG
(CHEMBL51118)
Show SMILES C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
Show InChI InChI=1S/C16H18N4S/c1-2-6-18-8-10-19(11-9-18)15-13-4-3-7-20(13)14-5-12-21-16(14)17-15/h2-5,7,12H,1,6,8-11H2
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n/an/a 2.34E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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n/an/a 2.63E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand

J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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n/an/a 2.63E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036852
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H34N2O4/c1-3-12-25(17-15-20-21(29-2)10-7-11-22(20)30-16-17)13-4-5-14-26-23(27)18-8-6-9-19(18)24(26)28/h7,10-11,17-19H,3-6,8-9,12-16H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036873
PNG
(8-{5-[(5-Methoxy-chroman-3-yl)-propyl-amino]-penty...)
Show SMILES CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-14-28(21-17-22-23(32-2)10-9-11-24(22)33-20-21)15-7-4-8-16-29-25(30)18-27(19-26(29)31)12-5-6-13-27/h9-11,21H,3-8,12-20H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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n/an/a 3.47E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand

J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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n/an/a 3.47E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036850
PNG
(8-{4-[(5-Hydroxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
Show InChI InChI=1S/C25H36N2O4/c1-2-12-26(19-15-20-21(28)8-7-9-22(20)31-18-19)13-5-6-14-27-23(29)16-25(17-24(27)30)10-3-4-11-25/h7-9,19,28H,2-6,10-18H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036865
PNG
(8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propo...)
Show SMILES CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H36N2O5/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-32-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50036857
PNG
(2-Methoxy-N-{4-[(5-methoxy-chroman-3-yl)-propyl-am...)
Show SMILES CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50407786
PNG
(CHEMBL54720)
Show SMILES C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H20N4S/c1-2-5-16(6-3-1)15-22-10-12-23(13-11-22)19-18-7-4-9-24(18)20-17(21-19)8-14-25-20/h1-9,14H,10-13,15H2
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n/an/a 4.37E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor

J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
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