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Compile Data Set for Download or QSAR

Found 79 hits of kd for UniProtKB: P14842   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-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 0.420n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for membrane-bound 5-hydroxytryptamine 2 receptor


J Med Chem 29: 1663-8 (1986)


Article DOI: 10.1021/jm00159a017
BindingDB Entry DOI: 10.7270/Q2RX9B3N
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM22864
PNG
(2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...)
Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
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n/an/an/a 6.46E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 2A receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86175
PNG
(Methylhistaprodifen | N-Methyl-2-(3,3-diphenylprop...)
Show SMILES CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
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n/an/an/a 4.07E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 2A receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 3.72E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 2A receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409488
PNG
(CHEMBL87026)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H28FNO2/c26-22-10-8-20(9-11-22)24(28)21-13-16-27(17-14-21)15-12-19-6-3-5-18-4-1-2-7-23(18)25(19)29/h1-2,4,7-11,19,21H,3,5-6,12-17H2
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n/an/an/a 178n/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))
BDBM50409063
PNG
(CHEMBL143027 | QF-1004B)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1
Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(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 11.2n/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))
BDBM50409492
PNG
(CHEMBL155006 | QF-0402B)
Show SMILES CCc1c(C)[nH]c2CCC(CCN3CCN(CC3)c3ccccc3OC)C(=O)c12
Show InChI InChI=1S/C24H33N3O2/c1-4-19-17(2)25-20-10-9-18(24(28)23(19)20)11-12-26-13-15-27(16-14-26)21-7-5-6-8-22(21)29-3/h5-8,18,25H,4,9-16H2,1-3H3
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n/an/an/a 31.6n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonistic compound was determined on 5-hydroxytryptamine 2A receptor of 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))
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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n/an/an/a 53.7n/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))
BDBM50409491
PNG
(CHEMBL95098)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-19(8-10-22)24(29)6-3-12-27-14-16-28(17-15-27)13-11-21-18-20-4-1-2-5-23(20)25(21)30/h1-2,4-5,7-10,21H,3,6,11-18H2
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n/an/an/a 50.1n/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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409498
PNG
(CHEMBL163180)
Show SMILES O=C1C(CCN2CCN(CC2)c2ccccn2)CCc2sccc12
Show InChI InChI=1S/C19H23N3OS/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2
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n/an/an/a 490n/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))
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))
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409502
PNG
(CHEMBL325253)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C23H27FN2O2S/c24-19-5-3-18(4-6-19)21(27)2-1-8-25-9-11-26(12-10-25)16-17-14-22(28)20-7-13-29-23(20)15-17/h3-7,13,17H,1-2,8-12,14-16H2
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n/an/an/a 16.2n/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))
BDBM50409503
PNG
(CHEMBL310153)
Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
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n/an/an/a 331n/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))
BDBM50409504
PNG
(CHEMBL109528)
Show SMILES COc1ccccc1N1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C20H24N2O2S/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3
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n/an/an/a 1.26E+3n/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))
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))
BDBM50409506
PNG
(CHEMBL111393)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C21H22FNO2S/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2
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n/an/an/a 15.1n/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))
BDBM50409508
PNG
(CHEMBL110847)
Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1
Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3
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n/an/an/a 112n/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))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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n/an/an/a 13.8n/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))
BDBM50409501
PNG
(CHEMBL159466)
Show SMILES O=C1CC(CN2CCN(CC2)c2ccccn2)Cc2sccc12
Show InChI InChI=1S/C18H21N3OS/c22-16-11-14(12-17-15(16)4-10-23-17)13-20-6-8-21(9-7-20)18-3-1-2-5-19-18/h1-5,10,14H,6-9,11-13H2
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n/an/an/a 398n/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))
BDBM50409511
PNG
(CHEMBL161423)
Show SMILES COc1ccccc1N1CCN(CCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H26N2O2/c1-26-21-9-5-4-8-20(21)24-14-12-23(13-15-24)11-10-18-16-17-6-2-3-7-19(17)22(18)25/h2-9,18H,10-16H2,1H3
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n/an/an/a 158n/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))
BDBM50409496
PNG
(CHEMBL96781)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2
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n/an/an/a 44.7n/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))
BDBM50409495
PNG
(CHEMBL111189)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3sccc3C2=O)CC1
Show InChI InChI=1S/C24H29FN2O2S/c25-20-6-3-18(4-7-20)22(28)2-1-11-26-13-15-27(16-14-26)12-9-19-5-8-23-21(24(19)29)10-17-30-23/h3-4,6-7,10,17,19H,1-2,5,8-9,11-16H2
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n/an/an/a 148n/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))
BDBM50409062
PNG
(CHEMBL143022 | QF-1003B)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1
Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2
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n/an/an/a 52.5n/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))
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))
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 (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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409516
PNG
(CHEMBL95112)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3sccc3C2=O)CC1
Show InChI InChI=1S/C23H27FN2O2S/c24-19-5-3-17(4-6-19)21(27)2-1-9-25-11-13-26(14-12-25)10-7-18-16-22-20(23(18)28)8-15-29-22/h3-6,8,15,18H,1-2,7,9-14,16H2
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n/an/an/a 23.4n/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))
BDBM50409489
PNG
(CHEMBL160019)
Show SMILES COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1
Show InChI InChI=1S/C21H26N2O3/c1-25-20-5-3-2-4-18(20)23-13-11-22(12-14-23)10-8-16-6-7-19-17(21(16)24)9-15-26-19/h2-5,9,15-16H,6-8,10-14H2,1H3
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n/an/an/a 501n/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))
BDBM50409505
PNG
(CHEMBL111509)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C24H27FN2O2/c25-20-9-7-18(8-10-20)23(28)6-3-11-26-12-14-27(15-13-26)17-19-16-24(29)22-5-2-1-4-21(19)22/h1-2,4-5,7-10,19H,3,6,11-17H2
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n/an/an/a 63.1n/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))
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))
BDBM50403682
PNG
(CHEMBL121744)
Show SMILES COc1ccccc1N1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-21(23)27-12-10-26(11-13-27)16-17-14-20-24(22(28)15-17)18-6-2-3-7-19(18)25-20/h2-9,17,25H,10-16H2,1H3
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n/an/an/a 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))
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))
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))
BDBM50409521
PNG
(CHEMBL92145)
Show SMILES COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H28N2O2/c1-27-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23(19)26/h2-9,19H,10-17H2,1H3
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n/an/an/a 191n/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))
BDBM50409509
PNG
(CHEMBL87943)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2
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n/an/an/a 33.9n/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))
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))
BDBM50409490
PNG
(CHEMBL159929 | QF-0702B)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1
Show InChI InChI=1S/C22H24FNO3/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 26.3n/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))
BDBM50409513
PNG
(CHEMBL444269)
Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C21H24N2O2/c1-25-21-9-5-4-8-19(21)23-12-10-22(11-13-23)15-16-14-20(24)18-7-3-2-6-17(16)18/h2-9,16H,10-15H2,1H3
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n/an/an/a 617n/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))
BDBM50409507
PNG
(CHEMBL159917)
Show SMILES O=C1C(CCN2CCN(CC2)c2ccccn2)CCc2occc12
Show InChI InChI=1S/C19H23N3O2/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2
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n/an/an/a 676n/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))
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))
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))
BDBM50408825
PNG
(CHEMBL158729)
Show SMILES CN1CC(COC(=O)C2CCCCC2)=C[C@H]2[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/h5,8-10,12,16,19,21,24H,2-4,6-7,11,13-14H2,1H3/t19-,21-/m1/s1
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n/an/an/a 39.8n/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))
BDBM50408826
PNG
(CHEMBL160469)
Show SMILES CN1CC(COC(=O)C2CCCC2)=C[C@H]2[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/h4,7-9,11,15,18,20,23H,2-3,5-6,10,12-13H2,1H3/t18-,20-/m1/s1
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n/an/an/a 49.0n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408828
PNG
(CHEMBL351362)
Show SMILES CN1CC(COC(=O)C2CCC2)=C[C@H]2[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/h3,6-8,10,14,17,19,22H,2,4-5,9,11-12H2,1H3/t17-,19-/m1/s1
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n/an/an/a 77.6n/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))
BDBM50408830
PNG
(CHEMBL348055)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c3cccc1c23
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/h5,8-10,13,15,17,20,22H,4,6-7,11-12,14H2,1-3H3/t20-,22-/m1/s1
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n/an/an/a 9.33n/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))
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
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