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Compile Data Set for Download or QSAR

Found 15214 hits Enz. Inhib. hit(s) with Target = '5-HT2'   
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))
BDBM50271706
PNG
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)
Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
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n/an/an/a 0.0970n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor expressed in human A549 cells


Bioorg Med Chem 16: 6116-23 (2008)


Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409515
PNG
(CHEMBL110948 | QF-0610B)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1
Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2
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n/an/an/a 0.135n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50271706
PNG
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)
Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
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n/an/an/a 0.150n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor expressed in human HEK293 cells


Bioorg Med Chem 16: 6116-23 (2008)


Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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n/an/an/a 0.316n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409500
PNG
(CHEMBL164471 | QF-0703B)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1
Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2
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n/an/an/a 0.562n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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n/an/an/a 0.631n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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n/an/an/a 0.646n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408850
PNG
(CHEMBL348875)
Show SMILES CN1C[C@H](COC(=O)C2CCCCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,15-16,21,24H,2-4,6-7,11,13-14H2,1H3/t15-,21-/m1/s1
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n/an/an/a 0.661n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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
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/an/a 0.692n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408829
PNG
(CHEMBL161368)
Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](CO)C=C3c3cccc1c23
Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12-13,18,22H,8-9,11H2,1-3H3/t13-,18-/m1/s1
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n/an/an/a 0.708n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408833
PNG
(CHEMBL349405)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(CO)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12,16,18,22H,8-9,11H2,1-3H3/t16-,18-/m1/s1
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n/an/an/a 0.724n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409517
PNG
(CHEMBL320572)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C21H21FN2O2S/c22-15-1-2-17-19(11-15)26-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-27-20(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2
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n/an/an/a 0.741n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408839
PNG
(CHEMBL433689)
Show SMILES CN1C[C@H](COC(=O)C2CCCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C22H26N2O2/c1-24-12-14(13-26-22(25)15-5-2-3-6-15)9-18-17-7-4-8-19-21(17)16(11-23-19)10-20(18)24/h4,7-9,11,14-15,20,23H,2-3,5-6,10,12-13H2,1H3/t14-,20-/m1/s1
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408840
PNG
(CHEMBL347450)
Show SMILES CN1C[C@H](COC(=O)C2CCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C21H24N2O2/c1-23-11-13(12-25-21(24)14-4-2-5-14)8-17-16-6-3-7-18-20(16)15(10-22-18)9-19(17)23/h3,6-8,10,13-14,19,22H,2,4-5,9,11-12H2,1H3/t13-,19-/m1/s1
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408849
PNG
(CHEMBL160946)
Show SMILES CN1C[C@H](COC(=O)C2CC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C20H22N2O2/c1-22-10-12(11-24-20(23)13-5-6-13)7-16-15-3-2-4-17-19(15)14(9-21-17)8-18(16)22/h2-4,7,9,12-13,18,21H,5-6,8,10-11H2,1H3/t12-,18-/m1/s1
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408823
PNG
(CHEMBL157648)
Show SMILES CN1C[C@H](COC(=O)C2CCCCCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,16-17,22,25H,2-5,7-8,12,14-15H2,1H3/t16-,22-/m1/s1
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016479
PNG
((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)
Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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n/an/an/a 0.891n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409522
PNG
(CHEMBL109673)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3sccc3C2=O)CC1
Show InChI InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2
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n/an/an/a 0.955n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409494
PNG
(CHEMBL159969)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3sccc3C2=O)CC1
Show InChI InChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2
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n/an/an/a 1.20n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407992
PNG
(CHEMBL148346)
Show SMILES Cc1coc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H15N3O2/c1-11-10-22-16-8-15-12(7-14(11)16)4-6-20(15)17(21)19-13-3-2-5-18-9-13/h2-3,5,7-10H,4,6H2,1H3,(H,19,21)
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n/an/an/a 1.26n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
5-HT2


(PIG)
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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n/an/an/a 1.32n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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n/an/an/a 1.35n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408842
PNG
(CHEMBL273756)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(C)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H24N2/c1-12(2)21-11-14-9-18-16(8-13(3)10-20(18)4)15-6-5-7-17(21)19(14)15/h5-8,11-12,16,18H,9-10H2,1-4H3/t16-,18-/m1/s1
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n/an/an/a 1.45n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408835
PNG
(CHEMBL158155)
Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CC4)C=C3c3cccc1c23
Show InChI InChI=1S/C23H28N2O2/c1-14(2)25-12-17-10-21-19(18-5-4-6-20(25)22(17)18)9-15(11-24(21)3)13-27-23(26)16-7-8-16/h4-6,9,12,14-16,21H,7-8,10-11,13H2,1-3H3/t15-,21-/m1/s1
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n/an/an/a 1.82n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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n/an/an/a 2n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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n/an/an/a 2.04n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219137
PNG
(7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...)
Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3
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n/an/an/a 2.14n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
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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n/an/an/a 2.20n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor expressed in human A549 cells


Bioorg Med Chem 16: 6116-23 (2008)


Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
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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n/an/an/a 2.70n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor expressed in human HEK293 cells


Bioorg Med Chem 16: 6116-23 (2008)


Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408847
PNG
(CHEMBL161046)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](CO)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H26N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-6,10,12-13,16,18,22H,7-9,11H2,1-3H3/t13-,16-,18-/m1/s1
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n/an/an/a 3.16n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408852
PNG
(CHEMBL158938)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](C)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H26N2/c1-12(2)21-11-14-9-18-16(8-13(3)10-20(18)4)15-6-5-7-17(21)19(14)15/h5-7,11-13,16,18H,8-10H2,1-4H3/t13-,16-,18-/m1/s1
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n/an/an/a 3.16n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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n/an/an/a 3.16n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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n/an/an/a 3.31n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory potency against rat stomach fundus 5-hydroxytryptamine 2B receptor


J Med Chem 38: 2524-30 (1995)


Article DOI: 10.1021/jm00014a004
BindingDB Entry DOI: 10.7270/Q2MP54HC
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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n/an/an/a 3.39n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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n/an/an/a 3.80n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50412384
PNG
(CHEMBL508399)
Show SMILES CCN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-2-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21)14-18(17)10-12-20/h3-8,14,21H,2,9-13H2,1H3
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n/an/an/a 3.98n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408853
PNG
(CHEMBL160821)
Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCCC4)C=C3c3cccc1c23
Show InChI InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16-18,23H,4-5,7-8,12-13,15H2,1-3H3/t17-,23-/m1/s1
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n/an/an/a 5.62n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219140
PNG
(12-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dib...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-18-15-20(22-2)10-9-19(18)14-17-7-4-3-6-16(17)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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n/an/an/a 5.75n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408824
PNG
(CHEMBL347660)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CC4)CN3C)c3cccc1c23
Show InChI InChI=1S/C23H30N2O2/c1-14(2)25-12-17-10-21-19(18-5-4-6-20(25)22(17)18)9-15(11-24(21)3)13-27-23(26)16-7-8-16/h4-6,12,14-16,19,21H,7-11,13H2,1-3H3/t15-,19-,21-/m1/s1
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n/an/an/a 6.03n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Effectiveness of compound in blocking 5-hydroxytryptamine 2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408841
PNG
(CHEMBL346727)
Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCC4)C=C3c3cccc1c23
Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15-17,22H,4,6-7,11-12,14H2,1-3H3/t16-,22-/m1/s1
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n/an/an/a 6.03n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50408001
PNG
(CHEMBL147820)
Show SMILES CC(C)n1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-13(2)22-8-5-14-11-18-15(10-17(14)22)6-9-23(18)19(24)21-16-4-3-7-20-12-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,21,24)
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n/an/an/a 6.31n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50408003
PNG
(CHEMBL148347)
Show SMILES Cc1cn(C)c2cc3CCN(C(=O)Nc4ccccc4)c3cc12
Show InChI InChI=1S/C19H19N3O/c1-13-12-21(2)18-10-14-8-9-22(17(14)11-16(13)18)19(23)20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
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n/an/an/a 6.31n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409499
PNG
(CHEMBL109548)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H22FNO2/c23-18-7-5-15(6-8-18)22(26)16-9-11-24(12-10-16)14-17-13-21(25)20-4-2-1-3-19(17)20/h1-8,16-17H,9-14H2
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n/an/an/a 7.41n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408837
PNG
(CHEMBL434841)
Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C27H36N2O3/c1-17(2)29-15-20-13-25-23(22-6-5-7-24(29)26(20)22)12-18(14-28(25)3)16-32-27(30)19-8-10-21(31-4)11-9-19/h5-7,12,15,17,19,21,23,25H,8-11,13-14,16H2,1-4H3/t19-,21-,23-,25-/m1/s1
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n/an/an/a 7.41n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409497
PNG
(CHEMBL87717)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2
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n/an/an/a 7.59n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409514
PNG
(CHEMBL87458)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1
Show InChI InChI=1S/C23H23F2NO2/c24-19-3-1-15(2-4-19)22(27)16-7-10-26(11-8-16)12-9-17-13-18-14-20(25)5-6-21(18)23(17)28/h1-6,14,16-17H,7-13H2
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n/an/an/a 7.59n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407997
PNG
(CHEMBL2112859)
Show SMILES CCCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-2-8-22-9-5-14-12-18-15(11-17(14)22)6-10-23(18)19(24)21-16-4-3-7-20-13-16/h3-5,7,9,11-13H,2,6,8,10H2,1H3,(H,21,24)
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n/an/an/a 7.94n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408831
PNG
(CHEMBL345374)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCC4)CN3C)c3cccc1c23
Show InChI InChI=1S/C24H32N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-9,13,15-17,20,22H,4,6-7,10-12,14H2,1-3H3/t16-,20-,22-/m1/s1
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n/an/an/a 8.71n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408827
PNG
(CHEMBL348936)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c3cccc1c23
Show InChI InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1
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n/an/an/a 8.91n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
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