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Compile Data Set for Download or QSAR

Found 12 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 (5-HT1A)


(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)


Article DOI: 10.1021/jm00018a016
BindingDB Entry DOI: 10.7270/Q2GF0SJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 (5-HT1A)


(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
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 30n/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 (5-HT1A)


(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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50224302
PNG
(CHEMBL31783)
Show SMILES CSc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/a 0n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor using 1 uM LSD as masking ligand, activity is expressed as Kd.


J Med Chem 25: 908-13 (1982)


Article DOI: 10.1021/jm00350a005
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50224305
PNG
(CHEMBL285355)
Show SMILES CSc1cccc2[nH]cc(CCN(C)C)c12
Show InChI InChI=1S/C13H18N2S/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11/h4-6,9,14H,7-8H2,1-3H3
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n/an/an/a 0.00000800n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor site using 1 uM LSD as masking ligand, activity is expressed as Kd.


J Med Chem 25: 908-13 (1982)


Article DOI: 10.1021/jm00350a005
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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)

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


(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)

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/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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50224303
PNG
(CHEMBL283686)
Show SMILES CN(C)CCc1c[nH]c2cc3OCOc3cc12
Show InChI InChI=1S/C13H16N2O2/c1-15(2)4-3-9-7-14-11-6-13-12(5-10(9)11)16-8-17-13/h5-7,14H,3-4,8H2,1-2H3
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n/an/an/a 0.00000800n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor site using 1 uM LSD as masking ligand, activity is expressed as Kd.


J Med Chem 25: 908-13 (1982)


Article DOI: 10.1021/jm00350a005
More data for this
Ligand-Target Pair