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Compile Data Set for Download or QSAR

Found 823 hits of ec50 data for polymerid = 3627,493,7880   
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))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/an/an/a 0n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

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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n/an/an/an/a 0.0100n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation


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))
BDBM50417427
PNG
(CHEMBL1290716)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as stimulation of GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 20: 7092-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.085
BindingDB Entry DOI: 10.7270/Q2MC919V
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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n/an/an/an/a 0.0500n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonistic activity at human 5HT1A receptor by [35S]GTP-gamma-S binding


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))
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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n/an/an/an/a 0.0800n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


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))
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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n/an/an/an/a 0.100n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


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))
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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n/an/an/an/a 0.130n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
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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n/an/an/an/a 0.200n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


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))
BDBM319716
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1COc2ccc(CCN3CCC(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H24N2O2S/c26-23-15-27-21-5-4-16(14-20(21)24-23)6-10-25-11-7-17(8-12-25)18-2-1-3-22-19(18)9-13-28-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26)
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n/an/an/an/a 0.223n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319709
PNG
(5-(2-(4-(6-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc(N2CCN(CCc3ccc4NC(=O)Cc4c3)CC2)c2ccsc2c1
Show InChI InChI=1S/C22H22FN3OS/c23-17-13-20(18-4-10-28-21(18)14-17)26-8-6-25(7-9-26)5-3-15-1-2-19-16(11-15)12-22(27)24-19/h1-2,4,10-11,13-14H,3,5-9,12H2,(H,24,27)
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n/an/an/an/a 0.235n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

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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n/an/an/an/a 0.300n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTPgammaS 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))
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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n/an/an/an/a 0.300n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


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))
BDBM50274835
PNG
(CHEMBL511857 | trans-1-(4-(3-methoxyphenyl)cyclohe...)
Show SMILES COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20-
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n/an/an/an/a 0.324n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells after 90 mins by beta-arrestin-2 recruitment assay


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50150086
PNG
(CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3
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n/an/an/an/a 0.340n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing human 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319733
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-14-15(4-5-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
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n/an/an/an/a 0.379n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319734
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-4-1-3-15(20(17)27-21)7-9-24-10-12-25(13-11-24)18-5-2-6-19-16(18)8-14-26-19/h1-6,8,14H,7,9-13H2,(H2,22,23)
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n/an/an/an/a 0.397n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.5n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation


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))
BDBM319703
PNG
(6-(2-(4-(6-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccsc2c1
Show InChI InChI=1S/C22H22FN3O2S/c23-16-12-19(17-4-10-29-21(17)13-16)26-8-6-25(7-9-26)5-3-15-1-2-20-18(11-15)24-22(27)14-28-20/h1-2,4,10-13H,3,5-9,14H2,(H,24,27)
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n/an/an/an/a 0.599n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319735
PNG
(N-(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)e...)
Show SMILES CC(=O)Nc1nc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2s1
Show InChI InChI=1S/C23H24N4OS2/c1-16(28)24-23-25-19-15-17(5-6-22(19)30-23)7-9-26-10-12-27(13-11-26)20-3-2-4-21-18(20)8-14-29-21/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,25,28)
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n/an/an/an/a 0.602n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319629
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C22H23N3O2S/c26-22-15-27-20-5-4-16(14-18(20)23-22)6-8-24-9-11-25(12-10-24)19-2-1-3-21-17(19)7-13-28-21/h1-5,7,13-14H,6,8-12,15H2,(H,23,26)
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n/an/an/an/a 0.626n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319630
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1CSc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C22H23N3OS2/c26-22-15-28-21-5-4-16(14-18(21)23-22)6-8-24-9-11-25(12-10-24)19-2-1-3-20-17(19)7-13-27-20/h1-5,7,13-14H,6,8-12,15H2,(H,23,26)
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n/an/an/an/a 0.680n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.700n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTPgammaS 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))
BDBM319743
PNG
((3aR,4R,6aS)-4-(5-(4-(benzo[b]thiophen-4-yl)pipera...)
Show SMILES O=C1N[C@@H]2CS[C@H](CCCCCN3CCN(CC3)c3cccc4sccc34)[C@@H]2N1
Show InChI InChI=1S/C22H30N4OS2/c27-22-23-17-15-29-20(21(17)24-22)6-2-1-3-9-25-10-12-26(13-11-25)18-5-4-7-19-16(18)8-14-28-19/h4-5,7-8,14,17,20-21H,1-3,6,9-13,15H2,(H2,23,24,27)/t17-,20-,21-/m1/s1
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n/an/an/an/a 0.75n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319737
PNG
(4-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2c(CCN3CCN(CC3)c3cccc4sccc34)cccc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-20-15(3-1-6-19(20)27-21)7-9-24-10-12-25(13-11-24)17-4-2-5-18-16(17)8-14-26-18/h1-6,8,14H,7,9-13H2,(H2,22,23)
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n/an/an/an/a 0.761n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319746
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Fc1cc(CCN2CCN(CC2)c2cccc3sccc23)cc2NC(=O)COc12
Show InChI InChI=1S/C22H22FN3O2S/c23-17-12-15(13-18-22(17)28-14-21(27)24-18)4-6-25-7-9-26(10-8-25)19-2-1-3-20-16(19)5-11-29-20/h1-3,5,11-13H,4,6-10,14H2,(H,24,27)
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n/an/an/an/a 0.766n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319704
PNG
(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
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n/an/an/an/a 0.770n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50033852
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3
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n/an/an/an/a 0.776n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by EL...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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n/an/an/an/a 0.780n/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro potency at human 5-hydroxytryptamine 1A receptor in inhibiting forskolin-stimulated accumulation of intracellular cAMP


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50056029
PNG
(CHEMBL316960 | N-{2-[4-(2,3-Dihydro-benzo[1,4]diox...)
Show SMILES CC1CN(CC(C)N1CCNC(=O)c1ccc(F)cc1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28FN3O3/c1-16-14-26(20-4-3-5-21-22(20)30-13-12-29-21)15-17(2)27(16)11-10-25-23(28)18-6-8-19(24)9-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,25,28)
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n/an/an/an/a 0.780n/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro potency at human 5-hydroxytryptamine 1A receptor in inhibiting forskolin-stimulated accumulation of intracellular cAMP


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319736
PNG
(N-(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)e...)
Show SMILES CC(=O)Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
Show InChI InChI=1S/C23H24N4OS2/c1-16(28)24-23-25-19-5-2-4-17(22(19)30-23)8-10-26-11-13-27(14-12-26)20-6-3-7-21-18(20)9-15-29-21/h2-7,9,15H,8,10-14H2,1H3,(H,24,25,28)
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n/an/an/an/a 0.787n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50274835
PNG
(CHEMBL511857 | trans-1-(4-(3-methoxyphenyl)cyclohe...)
Show SMILES COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20-
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n/an/an/an/a 0.794n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by EL...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
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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n/an/an/an/a 0.800n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


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))
BDBM319624
PNG
(7-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazi...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,16H,8-15H2,(H,24,27)
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n/an/an/an/a 0.824n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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n/an/an/an/a 0.851n/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 2)


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319621
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-5,9,15-16H,6-8,10-14H2,(H,24,27)
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n/an/an/an/a 0.926n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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n/an/an/an/a 0.930n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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n/an/an/an/a 0.955n/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 1)


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319615
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C23H23N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,9,15-16H,8,10-14H2,(H,24,27)
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n/an/an/an/a 0.972n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


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



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation


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))
BDBM319636
PNG
(4-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1Cc2c(N1)cccc2CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C22H23N3OS/c26-22-15-18-16(3-1-4-19(18)23-22)7-9-24-10-12-25(13-11-24)20-5-2-6-21-17(20)8-14-27-21/h1-6,8,14H,7,9-13,15H2,(H,23,26)
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n/an/an/an/a 1.01n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319745
PNG
(1-(benzo[b]thiophen-4-yl)-4-(4-(1-cyclohexyl-1H-te...)
Show SMILES C(CCc1nnnn1C1CCCCC1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H32N6S/c1-2-7-19(8-3-1)29-23(24-25-26-29)11-4-5-13-27-14-16-28(17-15-27)21-9-6-10-22-20(21)12-18-30-22/h6,9-10,12,18-19H,1-5,7-8,11,13-17H2
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US Patent
n/an/an/an/a 1.02n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319742
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES S=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H25N3S2/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-5,9,15-16H,6-8,10-14H2,(H,24,27)
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US Patent
n/an/an/an/a 1.02n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319617
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C22H22ClN3OS/c23-18-14-19-16(13-22(27)24-19)12-15(18)4-6-25-7-9-26(10-8-25)20-2-1-3-21-17(20)5-11-28-21/h1-3,5,11-12,14H,4,6-10,13H2,(H,24,27)
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n/an/an/an/a 1.05n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319706
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=S1(=O)NCCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C22H25N3O2S2/c26-29(27)22-16-17(4-5-18(22)6-9-23-29)7-10-24-11-13-25(14-12-24)20-2-1-3-21-19(20)8-15-28-21/h1-5,8,15-16,23H,6-7,9-14H2
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n/an/an/an/a 1.05n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
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n/an/an/an/a 1.10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against human 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50082406
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50082405
PNG
(1-phenoxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c27-20(17-28-21-7-2-1-3-8-21)16-26-14-12-25(13-15-26)24-11-10-19-6-4-5-9-22(19)23(24)18-29-25/h1-11,20,27H,12-18H2/t20-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319690
PNG
(7-(2-(4-(thieno[2,3-c]pyridin-4-yl)piperazin-1-yl)...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cncc4sccc34)cc2[nH]1
Show InChI InChI=1S/C22H22N4OS/c27-22-4-3-17-2-1-16(13-19(17)24-22)5-7-25-8-10-26(11-9-25)20-14-23-15-21-18(20)6-12-28-21/h1-4,6,12-15H,5,7-11H2,(H,24,27)
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n/an/an/an/a 1.23n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319696
PNG
(6-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
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n/an/an/an/a 1.25n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM319714
PNG
(6-(2-(4-(2-methoxybenzo[b]thiophen-4-yl)piperazin-...)
Show SMILES COc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C24H27N3O2S/c1-29-24-16-19-21(3-2-4-22(19)30-24)27-13-11-26(12-14-27)10-9-17-5-7-20-18(15-17)6-8-23(28)25-20/h2-5,7,15-16H,6,8-14H2,1H3,(H,25,28)
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n/an/an/an/a 1.29n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
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