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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'khorana' and Initial = 'n'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156192
PNG
((1R,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...)
Show SMILES CO[C@@H]([C@@H](C)N)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156193
PNG
((1R,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156184
PNG
((1R,2S)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...)
Show SMILES CO[C@H]([C@@H](C)N)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156189
PNG
((1R,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156188
PNG
(2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy-ethylam...)
Show SMILES COC(CN)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C11H16BrNO3/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3/h4-5,11H,6,13H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156191
PNG
(2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-ethanol |...)
Show SMILES COc1cc(C(O)CN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4,8,13H,5,12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156195
PNG
((1S,2S)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...)
Show SMILES CO[C@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12+/m0/s1
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6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132111
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H23FN2O/c1-24-20-6-3-2-5-18(20)19-15-25(14-12-21(19)24)13-4-7-22(26)16-8-10-17(23)11-9-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156186
PNG
(1-(4-Bromo-2,5-dimethoxy-benzyl)-propylamine | CHE...)
Show SMILES CCC(N)Cc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO2/c1-4-9(14)5-8-6-12(16-3)10(13)7-11(8)15-2/h6-7,9H,4-5,14H2,1-3H3
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7.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156196
PNG
((1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098528
PNG
((R)-2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine |...)
Show SMILES COc1ccc(OC)c(C[C@@H](C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156187
PNG
((1S,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m0/s1
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50130265
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132112
PNG
(1-Phenyl-4-(1,3,4,9-tetrahydro-beta-carbolin-2-yl)...)
Show SMILES O=C(CCCN1CCc2c(C1)[nH]c1ccccc21)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c24-21(16-7-2-1-3-8-16)11-6-13-23-14-12-18-17-9-4-5-10-19(17)22-20(18)15-23/h1-5,7-10,22H,6,11-15H2
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156185
PNG
((1S,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...)
Show SMILES CO[C@@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m0/s1
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17.4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132086
PNG
(2-(3-Phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[...)
Show SMILES C(COc1ccccc1)CN1CCc2[nH]c3ccccc3c2C1
Show InChI InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-20-18(15-22)17-9-4-5-10-19(17)21-20/h1-5,7-10,21H,6,11-15H2
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156190
PNG
((1R,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-b...)
Show SMILES CC[C@H](N)[C@H](O)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO3/c1-4-9(14)12(15)7-5-11(17-3)8(13)6-10(7)16-2/h5-6,9,12,15H,4,14H2,1-3H3/t9-,12+/m0/s1
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20.3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156194
PNG
(2-(4-Bromo-2,5-dimethoxy-phenyl)-morpholine | CHEM...)
Show SMILES COc1cc(C2CNCCO2)c(OC)cc1Br
Show InChI InChI=1S/C12H16BrNO3/c1-15-10-6-9(13)11(16-2)5-8(10)12-7-14-3-4-17-12/h5-6,12,14H,3-4,7H2,1-2H3
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20.6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132108
PNG
(4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-23-20-11-6-5-10-18(20)19-16-24(15-13-21(19)23)14-7-12-22(25)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132087
PNG
(5-Methyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES Cn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-22-20-11-6-5-10-18(20)19-16-23(14-12-21(19)22)13-7-15-24-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50130265
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132090
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-8-methoxy-5-methyl...)
Show SMILES COc1ccc2n(C)c3CCN(CCCOc4ccc(F)cc4)Cc3c2c1
Show InChI InChI=1S/C22H25FN2O2/c1-24-21-9-8-18(26-2)14-19(21)20-15-25(12-10-22(20)24)11-3-13-27-17-6-4-16(23)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132099
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(N=O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24FN3O/c1-25-21-7-3-2-5-18(21)19-15-26(14-12-22(19)25)13-4-6-20(24-27)16-8-10-17(23)11-9-16/h2-3,5,7-11,20H,4,6,12-15H2,1H3
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38n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132085
PNG
(2-(3-Phenoxy-propyl)-2,3,4,9-tetrahydro-1H-beta-ca...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-18-17-9-4-5-10-19(17)21-20(18)15-22/h1-5,7-10,21H,6,11-15H2
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50n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
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50n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50130265
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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55n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132111
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H23FN2O/c1-24-20-6-3-2-5-18(20)19-15-25(14-12-21(19)24)13-4-7-22(26)16-8-10-17(23)11-9-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132089
PNG
(5-Methyl-2-(5-phenyl-pent-2-enyl)-2,3,4,5-tetrahyd...)
Show SMILES Cn1c2CCN(C\C=C\CCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2-5,7-11,13-14H,6,12,15-18H2,1H3/b9-3+
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132095
PNG
(5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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65n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132091
PNG
(2-[4-(4-Fluoro-phenyl)-butyl]-5-methyl-2,3,4,5-tet...)
Show SMILES Cn1c2CCN(CCCCc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H25FN2/c1-24-21-8-3-2-7-19(21)20-16-25(15-13-22(20)24)14-5-4-6-17-9-11-18(23)12-10-17/h2-3,7-12H,4-6,13-16H2,1H3
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65n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132087
PNG
(5-Methyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES Cn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-22-20-11-6-5-10-18(20)19-16-23(14-12-21(19)22)13-7-15-24-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50130265
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
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75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132106
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-2,3,4,5-tetrahydro...)
Show SMILES Fc1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1
Show InChI InChI=1S/C20H21FN2O/c21-15-6-8-16(9-7-15)24-13-3-11-23-12-10-20-18(14-23)17-4-1-2-5-19(17)22-20/h1-2,4-9,22H,3,10-14H2
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75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132115
PNG
(2-[4-(4-Methoxy-phenyl)-butyl]-5-methyl-2,3,4,5-te...)
Show SMILES COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132095
PNG
(5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132091
PNG
(2-[4-(4-Fluoro-phenyl)-butyl]-5-methyl-2,3,4,5-tet...)
Show SMILES Cn1c2CCN(CCCCc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H25FN2/c1-24-21-8-3-2-7-19(21)20-16-25(15-13-22(20)24)14-5-4-6-17-9-11-18(23)12-10-17/h2-3,7-12H,4-6,13-16H2,1H3
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95n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132090
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-8-methoxy-5-methyl...)
Show SMILES COc1ccc2n(C)c3CCN(CCCOc4ccc(F)cc4)Cc3c2c1
Show InChI InChI=1S/C22H25FN2O2/c1-24-21-9-8-18(26-2)14-19(21)20-15-25(12-10-22(20)24)11-3-13-27-17-6-4-16(23)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50132087
PNG
(5-Methyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES Cn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-22-20-11-6-5-10-18(20)19-16-23(14-12-21(19)22)13-7-15-24-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132118
PNG
(2-[3-(4-Methoxy-phenoxy)-propyl]-5-methyl-2,3,4,5-...)
Show SMILES COc1ccc(OCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132126
PNG
(2-[3-(4-Chloro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(Cl)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23ClN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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115n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132112
PNG
(1-Phenyl-4-(1,3,4,9-tetrahydro-beta-carbolin-2-yl)...)
Show SMILES O=C(CCCN1CCc2c(C1)[nH]c1ccccc21)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c24-21(16-7-2-1-3-8-16)11-6-13-23-14-12-18-17-9-4-5-10-19(17)22-20(18)15-23/h1-5,7-10,22H,6,11-15H2
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115n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132111
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H23FN2O/c1-24-20-6-3-2-5-18(20)19-15-25(14-12-21(19)24)13-4-7-22(26)16-8-10-17(23)11-9-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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115n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132084
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-6-methoxy-5-methyl...)
Show SMILES COc1cccc2c3CN(CCCOc4ccc(F)cc4)CCc3n(C)c12
Show InChI InChI=1S/C22H25FN2O2/c1-24-20-11-13-25(12-4-14-27-17-9-7-16(23)8-10-17)15-19(20)18-5-3-6-21(26-2)22(18)24/h3,5-10H,4,11-15H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409726
PNG
(CHEMBL2111848)
Show SMILES Cn1c2CCN(C\C=C/CCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2-5,7-11,13-14H,6,12,15-18H2,1H3/b9-3-
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120n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132114
PNG
(5-Methyl-2-(5-phenyl-pentyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES Cn1c2CCN(CCCCCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H28N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1H3
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120n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132129
PNG
(5-Methyl-2-(4-phenyl-butyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES Cn1c2CCN(CCCCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2/c1-23-21-13-6-5-12-19(21)20-17-24(16-14-22(20)23)15-8-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13H,7-8,11,14-17H2,1H3
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130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
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