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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'lenoir' and Initial = 'ea'   
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))
BDBM50277145
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5/c1-23(2,3)27-22-24-12-10-20(26-22)18-7-6-13-28(16-18)14-11-17-15-25-21-9-5-4-8-19(17)21/h4-5,8-10,12,15,18,25H,6-7,11,13-14,16H2,1-3H3,(H,24,26,27)
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5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277131
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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7.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277180
PNG
(4-(1-(2-(5-chloro-1H-indol-3-yl)ethyl)piperidin-3-...)
Show SMILES Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26ClN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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10.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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11.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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16.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277130
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)
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21.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277147
PNG
(CHEMBL473903 | N-cyclopropyl-4-(1-(2-(5-fluoro-1H-...)
Show SMILES Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26FN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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23.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277181
PNG
(4-(1-(2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl)pip...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C23H28ClN5/c1-15-19(20-13-17(24)4-7-22(20)26-15)9-12-29-11-2-3-16(14-29)21-8-10-25-23(28-21)27-18-5-6-18/h4,7-8,10,13,16,18,26H,2-3,5-6,9,11-12,14H2,1H3,(H,25,27,28)
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26.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277144
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC1(CC1)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H29N5/c1-23(10-11-23)27-22-24-12-8-20(26-22)18-5-4-13-28(16-18)14-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,12,15,18,25H,4-5,9-11,13-14,16H2,1H3,(H,24,26,27)
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32n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277182
PNG
(CHEMBL475694 | N-cyclopropyl-4-(1-(2-(7-fluoro-1H-...)
Show SMILES Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12
Show InChI InChI=1S/C22H26FN5/c23-19-5-1-4-18-15(13-25-21(18)19)9-12-28-11-2-3-16(14-28)20-8-10-24-22(27-20)26-17-6-7-17/h1,4-5,8,10,13,16-17,25H,2-3,6-7,9,11-12,14H2,(H,24,26,27)
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35.1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277184
PNG
(CHEMBL474282 | N-cyclopropyl-4-(1-(2-((S)-2,3-dihy...)
Show SMILES C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H28N4O2/c1-2-6-21-20(5-1)27-15-18(28-21)10-13-26-12-3-4-16(14-26)19-9-11-23-22(25-19)24-17-7-8-17/h1-2,5-6,9,11,16-18H,3-4,7-8,10,12-15H2,(H,23,24,25)/t16?,18-/m0/s1
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37.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277210
PNG
(4-(1-(2-(benzo[b]thiophen-3-yl)ethyl)piperidin-3-y...)
Show SMILES C(Cc1csc2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C22H26N4S/c1-2-6-21-19(5-1)17(15-27-21)10-13-26-12-3-4-16(14-26)20-9-11-23-22(25-20)24-18-7-8-18/h1-2,5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2,(H,23,24,25)
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38.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277212
PNG
(4-(1-(1-(1H-indol-3-yl)propan-2-yl)piperidin-3-yl)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-16(13-18-14-25-22-7-3-2-6-20(18)22)28-12-4-5-17(15-28)21-10-11-24-23(27-21)26-19-8-9-19/h2-3,6-7,10-11,14,16-17,19,25H,4-5,8-9,12-13,15H2,1H3,(H,24,26,27)
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40.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277211
PNG
(CHEMBL475090 | N-cyclopropyl-4-(1-(2-(2,3-dihydro-...)
Show SMILES C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26)
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42.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277183
PNG
(CHEMBL514010 | N-cyclopropyl-4-(1-(2-(6-fluoro-1H-...)
Show SMILES Fc1ccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c2c1
Show InChI InChI=1S/C22H26FN5/c23-17-3-6-19-15(13-25-21(19)12-17)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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64.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277252
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-...)
Show SMILES COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c1-28-14-11-24-22-23-10-8-20(26-22)18-5-4-12-27(16-18)13-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,10,15,18,25H,4-5,9,11-14,16H2,1H3,(H,23,24,26)
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66.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277129
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
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75.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277251
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(3-...)
Show SMILES COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5O/c1-29-15-5-11-24-23-25-12-9-21(27-23)19-6-4-13-28(17-19)14-10-18-16-26-22-8-3-2-7-20(18)22/h2-3,7-9,12,16,19,26H,4-6,10-11,13-15,17H2,1H3,(H,24,25,27)
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78.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277250
PNG
(3-(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)pyr...)
Show SMILES OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c28-14-4-10-23-22-24-11-8-20(26-22)18-5-3-12-27(16-18)13-9-17-15-25-21-7-2-1-6-19(17)21/h1-2,6-8,11,15,18,25,28H,3-5,9-10,12-14,16H2,(H,23,24,26)
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175n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277214
PNG
(CHEMBL475092 | N-cyclopropyl-4-(1-(2-(thiazol-4-yl...)
Show SMILES C(Cc1cscn1)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C17H23N5S/c1-2-13(10-22(8-1)9-6-15-11-23-12-19-15)16-5-7-18-17(21-16)20-14-3-4-14/h5,7,11-14H,1-4,6,8-10H2,(H,18,20,21)
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780n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277213
PNG
(2-(3-(2-(cyclopropylamino)pyrimidin-4-yl)piperidin...)
Show SMILES O=C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H25N5O/c28-21(18-12-24-20-6-2-1-5-17(18)20)14-27-11-3-4-15(13-27)19-9-10-23-22(26-19)25-16-7-8-16/h1-2,5-6,9-10,12,15-16,24H,3-4,7-8,11,13-14H2,(H,23,25,26)
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3.42E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277249
PNG
(4-(1-(2-(1H-pyrazol-4-yl)ethyl)piperidin-3-yl)-N-c...)
Show SMILES C(Cc1cn[nH]c1)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C17H24N6/c1-2-14(12-23(8-1)9-6-13-10-19-20-11-13)16-5-7-18-17(22-16)21-15-3-4-15/h5,7,10-11,14-15H,1-4,6,8-9,12H2,(H,19,20)(H,18,21,22)
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4.45E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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n/an/an/an/a 41n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277129
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
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n/an/an/an/a 138n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277130
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)
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n/an/an/an/a 147n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277131
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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n/an/an/an/a 140n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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n/an/an/an/a 302n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277147
PNG
(CHEMBL473903 | N-cyclopropyl-4-(1-(2-(5-fluoro-1H-...)
Show SMILES Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26FN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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n/an/an/an/a 169n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277182
PNG
(CHEMBL475694 | N-cyclopropyl-4-(1-(2-(7-fluoro-1H-...)
Show SMILES Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12
Show InChI InChI=1S/C22H26FN5/c23-19-5-1-4-18-15(13-25-21(18)19)9-12-28-11-2-3-16(14-28)20-8-10-24-22(27-20)26-17-6-7-17/h1,4-5,8,10,13,16-17,25H,2-3,6-7,9,11-12,14H2,(H,24,26,27)
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n/an/an/an/a 216n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277211
PNG
(CHEMBL475090 | N-cyclopropyl-4-(1-(2-(2,3-dihydro-...)
Show SMILES C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26)
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n/an/an/an/a 290n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277250
PNG
(3-(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)pyr...)
Show SMILES OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c28-14-4-10-23-22-24-11-8-20(26-22)18-5-3-12-27(16-18)13-9-17-15-25-21-7-2-1-6-19(17)21/h1-2,6-8,11,15,18,25,28H,3-5,9-10,12-14,16H2,(H,23,24,26)
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n/an/an/an/a 51.4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277251
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(3-...)
Show SMILES COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5O/c1-29-15-5-11-24-23-25-12-9-21(27-23)19-6-4-13-28(17-19)14-10-18-16-26-22-8-3-2-7-20(18)22/h2-3,7-9,12,16,19,26H,4-6,10-11,13-15,17H2,1H3,(H,24,25,27)
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n/an/an/an/a 65n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277252
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-...)
Show SMILES COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c1-28-14-11-24-22-23-10-8-20(26-22)18-5-4-12-27(16-18)13-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,10,15,18,25H,4-5,9,11-14,16H2,1H3,(H,23,24,26)
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n/an/an/an/a 40.7n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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n/an/an/an/a 78n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair