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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'majo' and Initial = 'vj'   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024574
PNG
(CHEMBL3330616)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(F)n2)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024567
PNG
(CHEMBL3330623)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc3ccc(O)cc23)c1=O
Show InChI InChI=1S/C22H27N5O3/c1-24-21(29)16-23-27(22(24)30)10-3-2-9-25-11-13-26(14-12-25)20-6-4-5-17-7-8-18(28)15-19(17)20/h4-8,15-16,28H,2-3,9-14H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024643
PNG
(CHEMBL3329234)
Show SMILES CSc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O2S/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024647
PNG
(CHEMBL3330599)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C20H29N5O3/c1-3-28-18-9-5-4-8-17(18)24-14-12-23(13-15-24)10-6-7-11-25-20(27)22(2)19(26)16-21-25/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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0.776n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]SB-258585 from human recombinant 5HT6 receptor using methiothepin after 45 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5255-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.090
BindingDB Entry DOI: 10.7270/Q2TM7CDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024646
PNG
(CHEMBL3330600)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCCF)c1=O
Show InChI InChI=1S/C21H30FN5O3/c1-24-20(28)17-23-27(21(24)29)11-5-4-10-25-12-14-26(15-13-25)18-7-2-3-8-19(18)30-16-6-9-22/h2-3,7-8,17H,4-6,9-16H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024595
PNG
(CHEMBL3330605)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2C#N)c1=O
Show InChI InChI=1S/C19H24N6O2/c1-22-18(26)15-21-25(19(22)27)9-5-4-8-23-10-12-24(13-11-23)17-7-3-2-6-16(17)14-20/h2-3,6-7,15H,4-5,8-13H2,1H3
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0.835n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024580
PNG
(CHEMBL3330612)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccn2)c1=O
Show InChI InChI=1S/C17H24N6O2/c1-20-16(24)14-19-23(17(20)25)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-18-15/h2-3,6-7,14H,4-5,8-13H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
BindingDB Entry DOI: 10.7270/Q2ZC82FS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024577
PNG
(CHEMBL3330614)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-15(25)13-20-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)16-14(18)5-4-6-19-16/h4-6,13H,2-3,7-12H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


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


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024573
PNG
(CHEMBL3330617 | US9290463, A)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O
Show InChI InChI=1S/C17H23BrN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2A receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024584
PNG
(CHEMBL3330609)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2O)c1=O
Show InChI InChI=1S/C18H25N5O3/c1-20-17(25)14-19-23(18(20)26)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-16(15)24/h2-3,6-7,14,24H,4-5,8-13H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024582
PNG
(CHEMBL3330611)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2F)c1=O
Show InChI InChI=1S/C18H24FN5O2/c1-21-17(25)14-20-24(18(21)26)9-5-4-8-22-10-12-23(13-11-22)16-7-3-2-6-15(16)19/h2-3,6-7,14H,4-5,8-13H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024566
PNG
(CHEMBL3330624)
Show SMILES CCOc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C24H31N5O3/c1-3-32-20-10-9-19-7-6-8-22(21(19)17-20)28-15-13-27(14-16-28)11-4-5-12-29-24(31)26(2)23(30)18-25-29/h6-10,17-18H,3-5,11-16H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024605
PNG
(CHEMBL3330603 | US9290463, E)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-17(24)15-19-23(18(20)25)10-6-5-9-21-11-13-22(14-12-21)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024583
PNG
(CHEMBL3330610)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(O)c2)c1=O
Show InChI InChI=1S/C18H25N5O3/c1-20-17(25)14-19-23(18(20)26)8-3-2-7-21-9-11-22(12-10-21)15-5-4-6-16(24)13-15/h4-6,13-14,24H,2-3,7-12H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2C receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024587
PNG
(CHEMBL3330606)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2c(F)cccc2C#N)c1=O
Show InChI InChI=1S/C19H23FN6O2/c1-23-17(27)14-22-26(19(23)28)8-3-2-7-24-9-11-25(12-10-24)18-15(13-21)5-4-6-16(18)20/h4-6,14H,2-3,7-12H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
adrenergic Alpha1


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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6.75n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024575
PNG
(CHEMBL3330615)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2S)c1=O
Show InChI InChI=1S/C18H25N5O2S/c1-20-17(24)14-19-23(18(20)25)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-16(15)26/h2-3,6-7,14,26H,4-5,8-13H2,1H3
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8n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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8.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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9.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
HTR7


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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12.9n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
ADRA2C


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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15.4n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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16n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
DRD4


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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21.8n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2C receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024585
PNG
(CHEMBL3330608)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2c(Br)cccc2C#N)c1=O
Show InChI InChI=1S/C19H23BrN6O2/c1-23-17(27)14-22-26(19(23)28)8-3-2-7-24-9-11-25(12-10-24)18-15(13-21)5-4-6-16(18)20/h4-6,14H,2-3,7-12H2,1H3
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28n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-1 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
BindingDB Entry DOI: 10.7270/Q2ZC82FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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37n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024603
PNG
(CHEMBL3330604 | US9290463, C)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(I)cc2)c1=O
Show InChI InChI=1S/C18H24IN5O2/c1-21-17(25)14-20-24(18(21)26)9-3-2-8-22-10-12-23(13-11-22)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3
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59n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
Sigma-1


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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59.1n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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61n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta-2 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024578
PNG
(CHEMBL3330613)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(F)cn2)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-16(25)13-20-24(17(21)26)7-3-2-6-22-8-10-23(11-9-22)15-5-4-14(18)12-19-15/h4-5,12-13H,2-3,6-11H2,1H3
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68n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
HTR2B


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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73.6n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
HTR1D


(Bos taurus (Bovine))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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88.3n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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96n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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109n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to alpha 2C adrenergic receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
BindingDB Entry DOI: 10.7270/Q2ZC82FS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT6 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Sigma-2


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
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