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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 176.2
BDBM10755
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Wt: 300.8
BDBM31005
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Wt: 190.2
BDBM50014406
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Wt: 213.2
BDBM50014407
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Wt: 287.3
BDBM50017721
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Wt: 160.2
BDBM50024210
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Wt: 353.4
BDBM50031942
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Wt: 353.4
BDBM186930
Wt: 367.4
BDBM186945
Wt: 339.4
BDBM186923
Wt: 353.4
BDBM186925
Wt: 352.4
BDBM186926
Wt: 338.4
BDBM186927
Wt: 353.4
BDBM186928
Wt: 353.4
BDBM186939
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1071 hits in this display   
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.0600n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 224: 489-95 (1994)


BindingDB Entry DOI: 10.7270/Q2H70DB4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 224: 489-95 (1994)


BindingDB Entry DOI: 10.7270/Q2H70DB4
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
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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0.100n/an/an/an/an/an/an/an/a



Monash University

Curated by PDSP Ki Database




Br J Pharmacol 126: 179-88 (1999)


Article DOI: 10.1038/sj.bjp.0702293
BindingDB Entry DOI: 10.7270/Q20P0XK9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.120n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.130n/an/an/an/an/an/an/an/a



Monash University

Curated by PDSP Ki Database




Br J Pharmacol 126: 179-88 (1999)


Article DOI: 10.1038/sj.bjp.0702293
BindingDB Entry DOI: 10.7270/Q20P0XK9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.130n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
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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0.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Trends Pharmacol Sci 18: 104-7 (1997)


BindingDB Entry DOI: 10.7270/Q2BK19WB
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
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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0.25n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 107-16 (1995)


BindingDB Entry DOI: 10.7270/Q2610XTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.260n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.300n/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


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
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
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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0.360n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.380n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 122: 126-32 (1997)


Article DOI: 10.1038/sj.bjp.0701336
BindingDB Entry DOI: 10.7270/Q2VD6X1D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.400n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Trends Pharmacol Sci 18: 104-7 (1997)


BindingDB Entry DOI: 10.7270/Q2BK19WB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
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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0.420n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9


BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.460n/an/an/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor


J Med Chem 55: 5749-59 (2012)


Article DOI: 10.1021/jm300338m
BindingDB Entry DOI: 10.7270/Q2FQ9XQW
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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0.5n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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0.570n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
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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0.570n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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0.590n/an/an/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by PDSP Ki Database




Biochem Biophys Res Commun 184: 752-9 (1992)


BindingDB Entry DOI: 10.7270/Q2ST7NB1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.600n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 8547-51 (1993)


BindingDB Entry DOI: 10.7270/Q29Z93D3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12
Show InChI InChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1
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0.600n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.620n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.630n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Trends Pharmacol Sci 18: 104-7 (1997)


BindingDB Entry DOI: 10.7270/Q2BK19WB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
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
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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0.640n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 17-24 (1998)


BindingDB Entry DOI: 10.7270/Q2W66J9P
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
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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0.700n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.700n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9


BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.790n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(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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0.790n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.800n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
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
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
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
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
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.900n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
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
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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0.950n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9


BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
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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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
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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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
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
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
HTR7


(GUINEA PIG)
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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1n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Neurochem 63: 456-64 (1994)


BindingDB Entry DOI: 10.7270/Q2N8788T
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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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1n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart


J Med Chem 33: 1594-600 (1990)


Article DOI: 10.1021/jm00168a011
BindingDB Entry DOI: 10.7270/Q25Q4X94
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
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 receptor (2b and 2c)


(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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1n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
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
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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1.02n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9


BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
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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1.07n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9


BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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1.09n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
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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1.10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum.


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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1.10n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
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