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Compile Data Set for Download or QSAR

Found 11828 hits Enz. Inhib. hit(s) with Target = 'Serotonin' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282059
PNG
(CHEMBL433452 | quinuclidine derivative)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12
Show InChI InChI=1S/C18H20N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,17H,8-12H2,(H,19,21)/t17-/m0/s1
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>0.00000100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50346374
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)
Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
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0.000178n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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0.000185n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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0.000778n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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0.00157n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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0.00270n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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0.0161n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50280055
PNG
(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50369022
PNG
(CHEMBL1788197)
Show SMILES CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C25H30N2O/c1-2-14-27(15-6-9-19-7-4-3-5-8-19)22-12-10-20-11-13-24-25(23(20)16-22)21(18-28)17-26-24/h3-5,7-8,11,13,17-18,22,26H,2,6,9-10,12,14-16H2,1H3/t22-/m1/s1
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<0.0200n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.


J Med Chem 38: 2217-30 (1995)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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0.0210n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.0290n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT


J Med Chem 43: 1339-49 (2001)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.0300n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D adrenergic receptor, from rat clones.


J Med Chem 38: 3415-44 (1995)

More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317

More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004276
PNG
(1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...)
Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C
Show InChI InChI=1S/C21H26N2O3/c1-13(2)23-19-7-5-4-6-17(19)18(12-20(23)24)21(25)26-16-10-14-8-9-15(11-16)22(14)3/h4-7,12-16H,8-11H2,1-3H3
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0.0320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50316964
PNG
(CHEMBL1086961 | N'-cyano-N-(3-(4-(pyridin-2-yl)pip...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24)
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0.0380n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060242
PNG
(5-[3-(3,5-Dichloro-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H14Cl2N4O/c1-9-13(18-8-17-9)7-19-2-3-20(14(19)21)12-5-10(15)4-11(16)6-12/h4-6,8H,2-3,7H2,1H3,(H,17,18)/p+1
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0.0380n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
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0.0400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.


J Med Chem 38: 2217-30 (1995)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50062262
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(cc3C2=O)[N+]([O-])=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28N4O4/c1-35-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(20-7-3-2-4-8-20)22-12-11-21(31(33)34)19-23(22)27(30)32/h2-12,19,26H,13-18H2,1H3
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0.0450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50062937
PNG
(CHEMBL3397908)
Show SMILES OC(=O)\C=C\C(O)=O.CNC(=O)c1ccc2ccn(C3CCN(CCc4c(OC)ccc5C(=O)CC(C)(C)Oc45)CC3)c2c1
Show InChI InChI=1S/C29H35N3O4/c1-29(2)18-25(33)22-7-8-26(35-4)23(27(22)36-29)12-15-31-13-10-21(11-14-31)32-16-9-19-5-6-20(17-24(19)32)28(34)30-3/h5-9,16-17,21H,10-15,18H2,1-4H3,(H,30,34)
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0.0450n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]MPPF from 5HT1A receptor in Sprague-Dawley rat hippocampal membrane fraction incubated for 60 mins by scintillation counting meth...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50057433
PNG
(CHEMBL278806 | [2-(5-Fluoro-chroman-8-yloxy)-ethyl...)
Show SMILES COc1ccc(CCCCNCCOc2ccc(F)c3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-18-9-7-17(8-10-18)5-2-3-13-24-14-16-26-21-12-11-20(23)19-6-4-15-27-22(19)21/h7-12,24H,2-6,13-16H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
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0.0520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50280055
PNG
(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50068362
PNG
(3-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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0.0600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50062268
PNG
(6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50062268
PNG
(6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.


Citation and Details
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell


J Med Chem 43: 1586-603 (2000)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50029246
PNG
(1-[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thio...)
Show SMILES O=C1CCCCN1Cc1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
Show InChI InChI=1S/C23H27N3O2S/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21/h3-5,7-9,15H,1-2,6,10-14,16-17H2
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0.0700n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50035342
PNG
(8-Pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]in...)
Show SMILES O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCC1
Show InChI InChI=1S/C17H20N2O/c20-11-13-10-18-16-6-4-12-3-5-14(9-15(12)17(13)16)19-7-1-2-8-19/h4,6,10-11,14,18H,1-3,5,7-9H2
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0.0700n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.


J Med Chem 38: 2217-30 (1995)

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))
BDBM50042060
PNG
((1-Methyl-1H-indol-3-yl)-(4,5,6,7-tetrahydro-1H-be...)
Show SMILES Cn1cc(C(=O)C2CCc3nc[nH]c3C2)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)
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0.0710n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 36: 3286-92 (1993)

More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042715
PNG
(1-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C18H19N3O/c1-12-16(20-11-19-12)7-8-17(22)15-10-21-9-3-5-13-4-2-6-14(15)18(13)21/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,20)
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0.0750n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
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0.0750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]-DAIZAC as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166996
PNG
(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCc1c(nc2ccccc2c1C(=O)OCC)N1CCN(C)CC1
Show InChI InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
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0.0800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0840n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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0.0842n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50094670
PNG
(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
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0.0880n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition constant of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50262788
PNG
(2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-26-21-11-5-3-9-19(21)25-15-13-24(14-16-25)12-6-7-17-28-22-23-18-8-2-4-10-20(18)27-22/h2-5,8-11H,6-7,12-17H2,1H3
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0.0940n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288587
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/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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0.100n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50035363
PNG
(8-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-6,7,8,9-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.


J Med Chem 38: 2217-30 (1995)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167002
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCN(CCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143673
PNG
(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29Cl2N3O/c22-17-3-4-18(23)19(15-17)25-12-9-24(10-13-25)11-14-26-8-7-21(16-20(26)27)5-1-2-6-21/h3-4,15H,1-2,5-14,16H2
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0.110n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand


J Med Chem 44: 1003-10 (2001)

More data for this
Ligand-Target Pair
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