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Compile Data Set for Download or QSAR

Found 8768 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor and serotonin 1a receptor'   
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


(Homo sapiens (Human))
BDBM433523
PNG
(US10562853, Compound 44)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C23H24ClF2N3O2/c24-18-14-16(4-5-19(18)25)22(30)29-11-7-23(26,8-12-29)15-27-10-13-31-21-3-1-2-20-17(21)6-9-28-20/h1-6,9,14,27-28H,7-8,10-13,15H2
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0.000158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433537
PNG
(US10562853, Compound 60)
Show SMILES CC1(C)Cc2cccc(OCCNCC3(F)CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2O1
Show InChI InChI=1S/C25H29ClF2N2O3/c1-24(2)15-18-4-3-5-21(22(18)33-24)32-13-10-29-16-25(28)8-11-30(12-9-25)23(31)17-6-7-20(27)19(26)14-17/h3-7,14,29H,8-13,15-16H2,1-2H3
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0.00851n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433537
PNG
(US10562853, Compound 60)
Show SMILES CC1(C)Cc2cccc(OCCNCC3(F)CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2O1
Show InChI InChI=1S/C25H29ClF2N2O3/c1-24(2)15-18-4-3-5-21(22(18)33-24)32-13-10-29-16-25(28)8-11-30(12-9-25)23(31)17-6-7-20(27)19(26)14-17/h3-7,14,29H,8-13,15-16H2,1-2H3
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US Patent
0.0100n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433539
PNG
(US10562853, Compound 62)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2Cl)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c22-16-3-1-2-4-19(16)29-12-9-26-14-21(25)7-10-27(11-8-21)20(28)15-5-6-18(24)17(23)13-15/h1-6,13,26H,7-12,14H2
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0.0129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50327601
PNG
(6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)pr...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
Show InChI InChI=1S/C25H26FN3O2/c26-22-6-1-4-18-5-2-7-23(24(18)22)29-13-11-28(12-14-29)10-3-15-31-20-9-8-19-17-27-25(30)21(19)16-20/h1-2,4-9,16H,3,10-15,17H2,(H,27,30)
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0.0141n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50555494
PNG
(CHEMBL4742112)
Show SMILES FC1(CNCCOc2ccccc2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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0.0148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50327602
PNG
(6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C25H27N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h1-3,5-10,17H,4,11-16,18H2,(H,26,29)
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0.0152n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433538
PNG
(US10562853, Compound 61)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2F)CC1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-16-13-15(5-6-17(16)23)20(28)27-10-7-21(25,8-11-27)14-26-9-12-29-19-4-2-1-3-18(19)24/h1-6,13,26H,7-12,14H2
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0.0158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433479
PNG
(US10562853, Compound 5)
Show SMILES Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-18-12-15(4-5-19(18)24)20(28)27-9-6-21(25,7-10-27)14-26-8-11-29-17-3-1-2-16(23)13-17/h1-5,12-13,26H,6-11,14H2
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0.0166n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50546855
PNG
(CHEMBL4752833)
Show SMILES Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
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0.0204n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433479
PNG
(US10562853, Compound 5)
Show SMILES Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-18-12-15(4-5-19(18)24)20(28)27-9-6-21(25,7-10-27)14-26-8-11-29-17-3-1-2-16(23)13-17/h1-5,12-13,26H,6-11,14H2
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US Patent
0.0230n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50546856
PNG
(CHEMBL4759759)
Show SMILES FC1(CNCCOc2cccc(Cl)c2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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0.0251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
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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0.0280n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


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


(Homo sapiens (Human))
BDBM433491
PNG
(US10562853, Compound 12)
Show SMILES CSc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClF2N2O2S/c1-30-20-5-3-2-4-19(20)29-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-18(24)17(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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US Patent
0.0290n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433526
PNG
(US10562853, Compound 47)
Show SMILES NC(=O)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H24ClF2N3O3/c23-18-13-16(4-5-19(18)24)21(30)28-9-6-22(25,7-10-28)14-27-8-11-31-17-3-1-2-15(12-17)20(26)29/h1-5,12-13,27H,6-11,14H2,(H2,26,29)
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0.0295n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM458528
PNG
(2-{2-[4-(1,2-Benzoisothiazol-3-yl)piperazin-1-yl]e...)
Show SMILES COc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Show InChI InChI=1S/C22H25N5O2S/c1-29-20-14-16-6-7-27(22(28)18(16)15-23-20)13-10-25-8-11-26(12-9-25)21-17-4-2-3-5-19(17)30-24-21/h2-5,14-15H,6-13H2,1H3
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0.0300n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
Binding affinity of the present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following proced...


US Patent US10745401 (2020)


BindingDB Entry DOI: 10.7270/Q2D221P5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50373901
PNG
(CHEMBL271987)
Show SMILES COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H32N4O/c1-30-24-12-6-5-11-23(24)29-19-17-28(18-20-29)16-8-2-7-15-26-25-14-13-21-9-3-4-10-22(21)27-25/h3-6,9-14H,2,7-8,15-20H2,1H3,(H,26,27)
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0.0300n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM458634
PNG
(2-{2-[4-(1,2-Benzoisothiazol-3-yl)piperazin-1-yl]e...)
Show SMILES Cc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Show InChI InChI=1S/C22H25N5OS/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15H,6-13H2,1H3
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0.0300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures. CHO cell membrane ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22V2KB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433480
PNG
(US10562853, Compound 6)
Show SMILES COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-19-4-2-3-5-20(19)30-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-18(24)17(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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0.0309n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433484
PNG
(US10562853, Compound 9)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H25Cl2FN2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-19(23)20(24)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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0.0316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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0.0339n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433531
PNG
(US10562853, Compound 52)
Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3
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0.0339n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433480
PNG
(US10562853, Compound 6)
Show SMILES COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-19-4-2-3-5-20(19)30-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-18(24)17(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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US Patent
0.0350n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50590640
PNG
(CHEMBL5177580)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)oc3c2)CC1
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0.0400n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00633
BindingDB Entry DOI: 10.7270/Q26M3BS8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50472582
PNG
(CHEMBL45422)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
Show InChI InChI=1S/C21H25ClF2N4O/c1-14-3-5-16(27-19(14)25-2)12-26-13-21(24)7-9-28(10-8-21)20(29)15-4-6-18(23)17(22)11-15/h3-6,11,26H,7-10,12-13H2,1-2H3,(H,25,27)
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0.0400n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00633
BindingDB Entry DOI: 10.7270/Q26M3BS8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433478
PNG
(US10562853, Compound 4)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c22-16-2-1-3-17(13-16)29-11-8-26-14-21(25)6-9-27(10-7-21)20(28)15-4-5-19(24)18(23)12-15/h1-5,12-13,26H,6-11,14H2
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US Patent
0.0430n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50546857
PNG
(CHEMBL4757755)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3NCCc23)CC1
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0.0447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50327603
PNG
(6-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)pr...)
Show SMILES Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-7-5-18-3-1-4-24(22(18)15-20)29-12-10-28(11-13-29)9-2-14-31-21-8-6-19-17-27-25(30)23(19)16-21/h1,3-8,15-16H,2,9-14,17H2,(H,27,30)
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0.0447n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433478
PNG
(US10562853, Compound 4)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c22-16-2-1-3-17(13-16)29-11-8-26-14-21(25)6-9-27(10-7-21)20(28)15-4-5-19(24)18(23)12-15/h1-5,12-13,26H,6-11,14H2
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0.0479n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433549
PNG
(US10562853, Compound 70)
Show SMILES Fc1ccnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C20H21ClF3N3O2/c21-16-11-14(1-2-17(16)23)19(28)27-8-4-20(24,5-9-27)13-25-7-10-29-18-12-15(22)3-6-26-18/h1-3,6,11-12,25H,4-5,7-10,13H2
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US Patent
0.0500n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50327604
PNG
(6-(3-(4-(chroman-8-yl)piperazin-1-yl)propoxy)isoin...)
Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Show InChI InChI=1S/C24H29N3O3/c28-24-21-16-20(8-7-19(21)17-25-24)29-15-3-9-26-10-12-27(13-11-26)22-6-1-4-18-5-2-14-30-23(18)22/h1,4,6-8,16H,2-3,5,9-15,17H2,(H,25,28)
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0.0501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50327605
PNG
(6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
Show InChI InChI=1S/C26H28FN3O2/c27-23-7-3-5-19-6-4-8-24(25(19)23)30-14-12-29(13-15-30)11-1-2-16-32-21-10-9-20-18-28-26(31)22(20)17-21/h3-10,17H,1-2,11-16,18H2,(H,28,31)
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0.0504n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433483
PNG
(US10562853, Compound 8)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-20(24)19(23)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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0.0520n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433477
PNG
(US10562853, Compound 3)
Show SMILES CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C23H26Cl2FN3O3/c1-16(30)28-18-3-2-4-19(14-18)32-12-9-27-15-23(26)7-10-29(11-8-23)22(31)17-5-6-20(24)21(25)13-17/h2-6,13-14,27H,7-12,15H2,1H3,(H,28,30)
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0.0537n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433484
PNG
(US10562853, Compound 9)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H25Cl2FN2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-19(23)20(24)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.0600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433499
PNG
(US10562853, Compound 16)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3cccnc23)CC1
Show InChI InChI=1S/C24H24ClF2N3O2/c25-19-15-18(6-7-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2
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0.0603n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433527
PNG
(US10562853, Compound 48)
Show SMILES NC(=O)c1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H24ClF2N3O3/c23-17-13-15(5-6-18(17)24)21(30)28-10-7-22(25,8-11-28)14-27-9-12-31-19-4-2-1-3-16(19)20(26)29/h1-6,13,27H,7-12,14H2,(H2,26,29)
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0.0603n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433483
PNG
(US10562853, Compound 8)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-20(24)19(23)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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0.0603n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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0.0610n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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0.0617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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0.0617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50474415
PNG
(CHEMBL2112882)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12|
Show InChI InChI=1S/C34H39N5O5/c1-19(2)13-27-31(41)36-28(14-20-9-6-5-7-10-20)34(43)39(27)32(42)33(3,44-34)37-30(40)22-15-24-23-11-8-12-25-29(23)21(17-35-25)16-26(24)38(4)18-22/h5-12,15,17,19,22,26-28,35,43H,13-14,16,18H2,1-4H3,(H,36,41)(H,37,40)/t22-,26-,27+,28+,33-,34+/m1/s1
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0.0631n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells using [3H]8-OH-DPAT as radioligand


J Med Chem 46: 5117-20 (2003)


Article DOI: 10.1021/jm0341204
BindingDB Entry DOI: 10.7270/Q2Q242ZQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.0631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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0.0646n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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US Patent
0.0650n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50607169
PNG
(CHEMBL5220371)
Show SMILES Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2c1
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0.0690n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129006
BindingDB Entry DOI: 10.7270/Q2ZC8701
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433477
PNG
(US10562853, Compound 3)
Show SMILES CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C23H26Cl2FN3O3/c1-16(30)28-18-3-2-4-19(14-18)32-12-9-27-15-23(26)7-10-29(11-8-23)22(31)17-5-6-20(24)21(25)13-17/h2-6,13-14,27H,7-12,15H2,1H3,(H,28,30)
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0.0730n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433542
PNG
(US10562853, Compound 64)
Show SMILES Fc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cc1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-18-13-15(1-6-19(18)24)20(28)27-10-7-21(25,8-11-27)14-26-9-12-29-17-4-2-16(23)3-5-17/h1-6,13,26H,7-12,14H2
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0.0794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
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