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Compile Data Set for Download or QSAR

Found 17 hits of kd for UniProtKB: P08908   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50601567
PNG
(CHEMBL5206565)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
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n/an/an/a 0.0800n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50601551
PNG
(CHEMBL5207281)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
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n/an/an/a 0.0800n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50568740
PNG
(CHEMBL4860528)
Show SMILES CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
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n/an/an/a 0.0800n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50601574
PNG
(CHEMBL5201074)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
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n/an/an/a 0.0800n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
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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n/an/an/a 0.200n/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))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/an/a 0.316n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50035513
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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n/an/an/a 0.340n/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))
BDBM50033383
PNG
((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)
Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1 receptor using rabbit jugular vein assay in the absence of endothelium


J Med Chem 38: 3566-80 (1995)


BindingDB Entry DOI: 10.7270/Q2GF0SJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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/a 3.20n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 28n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50423465
PNG
(ERGOLINE)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m1/s1
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n/an/an/a 50n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50034355
PNG
((3aR,9bS)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...)
Show SMILES Oc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7-14(12)16/h2-5,12,14,17H,1,6-10H2/t12-,14+/m0/s1
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n/an/an/a 50.1n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


J Med Chem 52: 6107-25 (2009)


Article DOI: 10.1021/jm901096y
BindingDB Entry DOI: 10.7270/Q2J67HVQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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n/an/an/a 501n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 794n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in pig frontal cortex membranes using [8H]-OH-DPAT


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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n/an/an/a 3.16E+3n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a<1.00E+4n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in pig frontal cortex membranes using [8H]-OH-DPAT


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/an/a 3.00E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


J Med Chem 52: 6107-25 (2009)


Article DOI: 10.1021/jm901096y
BindingDB Entry DOI: 10.7270/Q2J67HVQ
More data for this
Ligand-Target Pair