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Compile Data Set for Download or QSAR

Found 25 hits of ec50 data for polymerid = 49000035,49000036,49000037   
Target
(Institution)
LigandTarget
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
Serotonin (5-HT) receptor


(HUMAN)
BDBM50106482
PNG
(CHEMBL339980 | N-[3-(2-Dimethylamino-ethyl)-2-meth...)
Show SMILES CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
Show InChI InChI=1S/C20H22FN3O/c1-13-16(11-12-24(2)3)19-17(22-13)5-4-6-18(19)23-20(25)14-7-9-15(21)10-8-14/h4-10,22H,11-12H2,1-3H3,(H,23,25)
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n/an/an/an/a 6n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for inhibition of skolin-stimulated adenylate cyclase in cell line expressing human 5-hydroxytryptamine 1F receptor


J Med Chem 44: 4031-4 (2001)

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


(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/an/a 7.90n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for inhibition of skolin-stimulated adenylate cyclase in cell line expressing human 5-hydroxytryptamine 1F receptor


J Med Chem 44: 4031-4 (2001)

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


(HUMAN)
BDBM50130447
PNG
(CHEMBL104753 | Thiophene-3-carboxylic acid [3-(1-m...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccsc3)nc12
Show InChI InChI=1S/C18H20N4OS/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
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n/an/an/an/a 9.40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130439
PNG
(CHEMBL102250 | Furan-3-carboxylic acid [3-(1-methy...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccoc3)nc12
Show InChI InChI=1S/C18H20N4O2/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
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n/an/an/an/a 11n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130437
PNG
(CHEMBL105958 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccncc3)nc12
Show InChI InChI=1S/C19H21N5O/c1-24-10-6-13(7-11-24)15-12-21-16-2-3-17(22-18(15)16)23-19(25)14-4-8-20-9-5-14/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3,(H,22,23,25)
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n/an/an/an/a 11n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130420
PNG
(CHEMBL105091 | Furan-2-carboxylic acid [3-(1-methy...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccco3)nc12
Show InChI InChI=1S/C18H20N4O2/c1-22-8-6-12(7-9-22)13-11-19-14-4-5-16(20-17(13)14)21-18(23)15-3-2-10-24-15/h2-5,10-12,19H,6-9H2,1H3,(H,20,21,23)
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n/an/an/an/a 11n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130465
PNG
(CHEMBL105955 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...)
Show SMILES CCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)
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n/an/an/an/a 13n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130467
PNG
(CHEMBL321080 | Thiophene-2-carboxylic acid [3-(1-m...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccs3)nc12
Show InChI InChI=1S/C18H20N4OS/c1-22-8-6-12(7-9-22)13-11-19-14-4-5-16(20-17(13)14)21-18(23)15-3-2-10-24-15/h2-5,10-12,19H,6-9H2,1H3,(H,20,21,23)
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n/an/an/an/a 15n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130433
PNG
(CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12
Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)
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n/an/an/an/a 21n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130442
PNG
(CHEMBL105722 | Pyridine-2-carboxylic acid [3-(1-me...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccn3)nc12
Show InChI InChI=1S/C19H21N5O/c1-24-10-7-13(8-11-24)14-12-21-15-5-6-17(22-18(14)15)23-19(25)16-4-2-3-9-20-16/h2-6,9,12-13,21H,7-8,10-11H2,1H3,(H,22,23,25)
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n/an/an/an/a 25n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130426
PNG
(CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...)
Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)
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n/an/an/an/a 32n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(HUMAN)
BDBM50130440
PNG
(CHEMBL104720 | Cyclopropanecarboxylic acid [3-(1-m...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CC3)nc12
Show InChI InChI=1S/C17H22N4O/c1-21-8-6-11(7-9-21)13-10-18-14-4-5-15(19-16(13)14)20-17(22)12-2-3-12/h4-5,10-12,18H,2-3,6-9H2,1H3,(H,19,20,22)
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n/an/an/an/a 34n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...


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


(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/an/a 35n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for inhibition of skolin-stimulated adenylate cyclase in cell line expressing human 5-hydroxytryptamine 1F receptor


J Med Chem 44: 4031-4 (2001)

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


(HUMAN)
BDBM50130448
PNG
(CHEMBL431041 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
Show InChI InChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)
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n/an/an/an/a 36n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-HT1F receptor


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


(HUMAN)
BDBM50156408
PNG
(2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3...)
Show SMILES CN1CCC(CC1)N1CNc2ccc(NC(=O)c3c(F)cc(F)cc3F)cc12
Show InChI InChI=1S/C20H21F3N4O/c1-26-6-4-14(5-7-26)27-11-24-17-3-2-13(10-18(17)27)25-20(28)19-15(22)8-12(21)9-16(19)23/h2-3,8-10,14,24H,4-7,11H2,1H3,(H,25,28)
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n/an/an/an/a 50n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to cloned human 5-hydroxytryptamine 1F receptor expressed in Mouse LM(tk-) cells


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


(HUMAN)
BDBM50119542
PNG
(CHEMBL3617550)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C20H20F2N2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)22)23-20(26)14-5-7-15(21)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)
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n/an/an/an/a 55n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay


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


(HUMAN)
BDBM50156403
PNG
(2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-2...)
Show SMILES CN1CCC(CC1)N1CNc2ccc(NC(=O)c3ccc(F)cc3Cl)cc12
Show InChI InChI=1S/C20H22ClFN4O/c1-25-8-6-15(7-9-25)26-12-23-18-5-3-14(11-19(18)26)24-20(27)16-4-2-13(22)10-17(16)21/h2-5,10-11,15,23H,6-9,12H2,1H3,(H,24,27)
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n/an/an/an/a 63n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to cloned human 5-hydroxytryptamine 1F receptor expressed in Mouse LM(tk-) cells


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


(HUMAN)
BDBM50137541
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b...)
Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)16-12-26-17-6-7-18(22-19(16)17)23-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
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n/an/an/an/a 66n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 167-70 (2003)

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


(HUMAN)
BDBM50137540
PNG
(2-Chloro-6-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)
Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cccc3Cl)nc12
Show InChI InChI=1S/C20H19ClFN3O2/c1-25-9-7-12(8-10-25)13-11-27-16-5-6-17(23-19(13)16)24-20(26)18-14(21)3-2-4-15(18)22/h2-6,11-12H,7-10H2,1H3,(H,23,24,26)
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n/an/an/an/a 68.7n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 167-70 (2003)

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


(HUMAN)
BDBM50119543
PNG
(CHEMBL3617549)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H21FN2O2/c1-23-11-9-14(10-12-23)19(24)16-3-2-4-18(13-16)22-20(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)
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n/an/an/an/a 87n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay


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


(HUMAN)
BDBM50137539
PNG
(2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-fur...)
Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cc(F)cc3F)nc12
Show InChI InChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27)
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n/an/an/an/a 91.7n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 167-70 (2003)

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


(HUMAN)
BDBM50119532
PNG
(CHEMBL3617557)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25)
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n/an/an/an/a 110n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay


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


(HUMAN)
BDBM50156409
PNG
(2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-b...)
Show SMILES CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3Cl)cc12
Show InChI InChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)19-16-11-14(3-5-18(16)27-24-19)23-20(26)15-4-2-13(22)10-17(15)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)
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n/an/an/an/a 140n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to cloned human 5-hydroxytryptamine 1F receptor expressed in Mouse LM(tk-) cells


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


(HUMAN)
BDBM50137538
PNG
(2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)
Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3Cl)nc12
Show InChI InChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)15-11-27-17-4-5-18(23-19(15)17)24-20(26)14-3-2-13(22)10-16(14)21/h2-5,10-12H,6-9H2,1H3,(H,23,24,26)
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n/an/an/an/a 277n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 167-70 (2003)

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


(HUMAN)
BDBM50156406
PNG
(2,4-Difluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[...)
Show SMILES CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3F)cc12
Show InChI InChI=1S/C20H19F2N3O2/c1-25-8-6-12(7-9-25)19-16-11-14(3-5-18(16)27-24-19)23-20(26)15-4-2-13(21)10-17(15)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)
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n/an/an/an/a 470n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to cloned human 5-hydroxytryptamine 1F receptor expressed in Mouse LM(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair