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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'masotti' and Initial = 'ac'   
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))
BDBM50329675
PNG
(6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)...)
Show SMILES COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
Show InChI InChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300487
PNG
(5-(Dimethylamino)-2-[3-[4-(2-methoxyphenyl)-1-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
Show InChI InChI=1S/C24H30N4O3/c1-25(2)18-9-10-19-20(17-18)24(30)28(23(19)29)12-6-11-26-13-15-27(16-14-26)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3
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0.470n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300488
PNG
(5-(Dimethylamino)-2-[4-[4-(2-methoxyphenyl)-1-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
Show InChI InChI=1S/C25H32N4O3/c1-26(2)19-10-11-20-21(18-19)25(31)29(24(20)30)13-7-6-12-27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3
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0.5n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300485
PNG
(6-Amino-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pe...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C28H32N4O3/c1-35-25-11-4-3-10-24(25)31-18-16-30(17-19-31)14-5-2-6-15-32-27(33)21-9-7-8-20-23(29)13-12-22(26(20)21)28(32)34/h3-4,7-13H,2,5-6,14-19,29H2,1H3
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0.670n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300485
PNG
(6-Amino-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pe...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C28H32N4O3/c1-35-25-11-4-3-10-24(25)31-18-16-30(17-19-31)14-5-2-6-15-32-27(33)21-9-7-8-20-23(29)13-12-22(26(20)21)28(32)34/h3-4,7-13H,2,5-6,14-19,29H2,1H3
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0.670n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50213549
PNG
(1,5-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
Show InChI InChI=1S/C43H56N4O4/c1-48-42-18-6-4-16-40(42)46-28-24-44(25-29-46)22-20-36-12-10-14-38(34-36)50-32-8-3-9-33-51-39-15-11-13-37(35-39)21-23-45-26-30-47(31-27-45)41-17-5-7-19-43(41)49-2/h4-7,10-19,34-35H,3,8-9,20-33H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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2.20n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50329676
PNG
(1-(3-methoxyphenethyl)-4-(2-methoxyphenyl)piperazi...)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C20H26N2O2/c1-23-18-7-5-6-17(16-18)10-11-21-12-14-22(15-13-21)19-8-3-4-9-20(19)24-2/h3-9,16H,10-15H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50329677
PNG
(1-(2-methoxyphenyl)-4-pentylpiperazine | CHEMBL126...)
Show SMILES CCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
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5.16n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300484
PNG
(6-Amino-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]bu...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C27H30N4O3/c1-34-24-10-3-2-9-23(24)30-17-15-29(16-18-30)13-4-5-14-31-26(32)20-8-6-7-19-22(28)12-11-21(25(19)20)27(31)33/h2-3,6-12H,4-5,13-18,28H2,1H3
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6.80n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300489
PNG
(5-(Dimethylamino)-2-[5-[4-(2-methoxyphenyl)-1-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
Show InChI InChI=1S/C26H34N4O3/c1-27(2)20-11-12-21-22(19-20)26(32)30(25(21)31)14-8-4-7-13-28-15-17-29(18-16-28)23-9-5-6-10-24(23)33-3/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3
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7.80n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300486
PNG
(5-(Dimethylamino)-2-[2-[4-(2-methoxyphenyl)-1-pipe...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
Show InChI InChI=1S/C23H28N4O3/c1-24(2)17-8-9-18-19(16-17)23(29)27(22(18)28)15-12-25-10-13-26(14-11-25)20-6-4-5-7-21(20)30-3/h4-9,16H,10-15H2,1-3H3
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15n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300491
PNG
(5-(Dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C26H34N4O3S/c1-28(2)23-12-6-10-22-21(23)9-7-14-26(22)34(31,32)27-15-8-16-29-17-19-30(20-18-29)24-11-4-5-13-25(24)33-3/h4-7,9-14,27H,8,15-20H2,1-3H3
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29n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50329678
PNG
(2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl...)
Show SMILES CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(CC5)c5ccccc5OC)c4)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13|
Show InChI InChI=1S/C50H59N4O5/c1-6-52(7-2)40-25-23-38-35-39(49(56)59-46(38)36-40)24-26-47-50(3,4)42-18-10-11-19-43(42)54(47)28-14-8-9-22-48(55)58-41-17-15-16-37(34-41)27-29-51-30-32-53(33-31-51)44-20-12-13-21-45(44)57-5/h10-13,15-21,23-26,34-36H,6-9,14,22,27-33H2,1-5H3/q+1
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35n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300482
PNG
(6-Amino-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]et...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C25H26N4O3/c1-32-22-8-3-2-7-21(22)28-14-11-27(12-15-28)13-16-29-24(30)18-6-4-5-17-20(26)10-9-19(23(17)18)25(29)31/h2-10H,11-16,26H2,1H3
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44n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300493
PNG
(5-(Dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C28H38N4O3S/c1-30(2)25-14-9-12-24-23(25)11-10-16-28(24)36(33,34)29-17-7-4-8-18-31-19-21-32(22-20-31)26-13-5-6-15-27(26)35-3/h5-6,9-16,29H,4,7-8,17-22H2,1-3H3
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54n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50329679
PNG
(CHEMBL1269291 | sodium 4-(2-(2-(3-(2-(3,3-dimethyl...)
Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(cc2)\[S+]=[#6]2\[#6](\[#6]-[#6]-[#6]\[#6]\2=[#6]/[#6]=[#6]2/[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])=[#6]\[#6]=[#6]2\[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C61H77N5O8S3/c1-60(2)50-22-7-9-24-52(50)65(38-15-17-44-76(68,69)70)56(60)34-30-46-20-19-21-47(31-35-57-61(3,4)51-23-8-10-25-53(51)66(57)39-16-18-45-77(71,72)73)58(46)75-49-32-28-48(29-33-49)59(67)62-36-13-6-14-37-63-40-42-64(43-41-63)54-26-11-12-27-55(54)74-5/h7-12,22-35H,6,13-21,36-45H2,1-5H3,(H2-,62,67,68,69,70,71,72,73)/p-1/b46-30+,47-31+,56-34+,57-35+
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65.8n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300490
PNG
(5-(Dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C25H32N4O3S/c1-27(2)22-11-6-9-21-20(22)8-7-13-25(21)33(30,31)26-14-15-28-16-18-29(19-17-28)23-10-4-5-12-24(23)32-3/h4-13,26H,14-19H2,1-3H3
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73n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300483
PNG
(6-Amino-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]pr...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C26H28N4O3/c1-33-23-9-3-2-8-22(23)29-16-14-28(15-17-29)12-5-13-30-25(31)19-7-4-6-18-21(27)11-10-20(24(18)19)26(30)32/h2-4,6-11H,5,12-17,27H2,1H3
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116n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50300492
PNG
(5-(Dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C27H36N4O3S/c1-29(2)24-13-8-11-23-22(24)10-9-15-27(23)35(32,33)28-16-6-7-17-30-18-20-31(21-19-30)25-12-4-5-14-26(25)34-3/h4-5,8-15,28H,6-7,16-21H2,1-3H3
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PubMed
151n/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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 52: 7892-6 (2009)


Article DOI: 10.1021/jm900706d
BindingDB Entry DOI: 10.7270/Q2251K3Q
More data for this
Ligand-Target Pair