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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for polymerid = 49000035,49000037   
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 1F


(Homo sapiens (Human))
BDBM50573968
PNG
(CHEMBL4851044)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a 0.320n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 5HT1F receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573966
PNG
(CHEMBL4847626)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(F)cc2F)n1
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573964
PNG
(CHEMBL4846825)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(F)cc2)n1
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573968
PNG
(CHEMBL4851044)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573967
PNG
(CHEMBL4865700)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(Cl)cc2F)n1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573969
PNG
(CHEMBL4860576)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(F)cn2)n1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573965
PNG
(CHEMBL4862526)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(Cl)cc2)n1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573975
PNG
(COL-144 | LY573144 | Lasmiditan)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1
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n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573970
PNG
(CHEMBL4852743)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2ccc(Cl)cn2)n1
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n/an/a 161n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573971
PNG
(CHEMBL4874958)
Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a 178n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50473503
PNG
(CHEMBL2110300)
Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)|
Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12-,13?,14-
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n/an/a 363n/an/an/an/an/an/a



GlaxoWellcome

Curated by ChEMBL


Assay Description
Binding affinity towards human recombinant 5-hydroxytryptamine 1F receptor


J Med Chem 44: 681-93 (2001)


Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573972
PNG
(CHEMBL4872571)
Show SMILES F\[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a 571n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573973
PNG
(CHEMBL4871295)
Show SMILES F[#6](F)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a 813n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(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/a>1.00E+3n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the affinity at 5-hydroxytryptamine 1F receptor


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the affinity at 5-hydroxytryptamine 1F receptor


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1F receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50573974
PNG
(CHEMBL4861949)
Show SMILES F\[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)C(F)(F)F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113782
BindingDB Entry DOI: 10.7270/Q2TQ65CK
More data for this
Ligand-Target Pair