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Compile Data Set for Download or QSAR

Found 1312 hits with Last Name = 'teitler' and Initial = 'm'   
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))
BDBM50038677
PNG
((4-Bromo-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-ethy...)
Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C18H19BrN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against dopamine receptor D2


J Med Chem 36: 2519-25 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038672
PNG
(Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-ethyl]-am...)
Show SMILES COc1cc(CCNCc2ccccc2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO2/c1-20-16-11-15(18)17(21-2)10-14(16)8-9-19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9,12H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007170
PNG
(Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038665
PNG
(CHEMBL57939 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)
Show SMILES COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038675
PNG
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)
Show SMILES COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007175
PNG
(Adamantane-1-carboxylic acid [4-(4-naphthalen-1-yl...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |THB:28:29:24:32.27.26,28:27:24:31.29.30|
Show InChI InChI=1S/C29H39N3O/c33-28(29-19-22-16-23(20-29)18-24(17-22)21-29)30-10-3-4-11-31-12-14-32(15-13-31)27-9-5-7-25-6-1-2-8-26(25)27/h1-2,5-9,22-24H,3-4,10-21H2,(H,30,33)/t22-,23+,24-,29?
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.700n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 226-32 (2000)


BindingDB Entry DOI: 10.7270/Q29P3064
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM30703
PNG
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Ann N Y Acad Sci 861: 140-5 (1998)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2CV4G8J
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Ann N Y Acad Sci 861: 140-5 (1998)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2CV4G8J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007185
PNG
(CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007173
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-iso...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c30-25-22-11-3-4-12-23(22)26(31)29(25)15-6-5-14-27-16-18-28(19-17-27)24-13-7-9-20-8-1-2-10-21(20)24/h1-4,7-13H,5-6,14-19H2
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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1n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Ann N Y Acad Sci 861: 140-5 (1998)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2CV4G8J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049091
PNG
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)
Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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1n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007401
PNG
(1-Phenyl-4-(4-phenyl-butyl)-piperazine | CHEMBL858...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


J Med Chem 36: 2519-25 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 36: 2519-25 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049093
PNG
(CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...)
Show SMILES CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3
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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 recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064806
PNG
(2-(4-Isopropyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H...)
Show SMILES CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1 |t:9|
Show InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50039947
PNG
(2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine | CHEMBL97...)
Show SMILES CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 1D receptor beta in CHO cells transfected with human 5-HT1D beta gene labeled with [3H]-5-HT


J Med Chem 37: 2828-30 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9H0R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049085
PNG
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)
Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038675
PNG
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)
Show SMILES COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.70n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 1A receptor in AK cells transfected with human 5-HT1A gene labeled with [3H]-8-OH-DPAT


J Med Chem 37: 2828-30 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9H0R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049081
PNG
(2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C21H34N2O/c1-21(2,3)12-7-5-4-6-8-14-24-18-9-10-20-19(15-18)17(11-13-22)16-23-20/h9-10,15-16,23H,4-8,11-14,22H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007184
PNG
(3,4-Dichloro-N-{4-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-21-7-3-2-6-20(21)27-14-12-26(13-15-27)11-5-4-10-25-22(28)17-8-9-18(23)19(24)16-17/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,28)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 36: 2519-25 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007180
PNG
(CHEMBL26188 | N-(4-(4-(2-methoxyphenyl)piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3,(H,23,26)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049084
PNG
(2-[5-(7,7-Dimethyl-octyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C20H32N2O/c1-20(2,3)11-6-4-5-7-13-23-17-8-9-19-18(14-17)16(10-12-21)15-22-19/h8-9,14-15,22H,4-7,10-13,21H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 35: 734-40 (1992)


BindingDB Entry DOI: 10.7270/Q29K4BV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


J Med Chem 38: 1196-202 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ37TG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM35255
PNG
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)
Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 226-32 (2000)


BindingDB Entry DOI: 10.7270/Q29P3064
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Ann N Y Acad Sci 861: 140-5 (1998)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2CV4G8J
More data for this
Ligand-Target Pair
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