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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'xu' and Initial = 'yc'   
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 1D


(Homo sapiens (Human))
BDBM50073686
PNG
(CHEMBL423029 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-16(2,3)13-6-7-15-14(10-13)12(11-17-15)8-9-18(4)5/h6-7,10-11,17H,8-9H2,1-5H3
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0.440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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0.450n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073684
PNG
(2-(5-tert-Butyl-1H-indol-3-yl)-ethylamine | CHEMBL...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)11-4-5-13-12(8-11)10(6-7-15)9-16-13/h4-5,8-9,16H,6-7,15H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073687
PNG
(2-(5-Isopropyl-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C13H18N2/c1-9(2)10-3-4-13-12(7-10)11(5-6-14)8-15-13/h3-4,7-9,15H,5-6,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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1.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50106483
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indol-4...)
Show SMILES CN1CCC(CC1)c1c[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
Show InChI InChI=1S/C21H22FN3O/c1-25-11-9-14(10-12-25)17-13-23-18-3-2-4-19(20(17)18)24-21(26)15-5-7-16(22)8-6-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,26)
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1.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073681
PNG
(2-(5-Cyclopentyl-1H-indol-3-yl)-ethylamine | CHEMB...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C1CCCC1
Show InChI InChI=1S/C15H20N2/c16-8-7-13-10-17-15-6-5-12(9-14(13)15)11-3-1-2-4-11/h5-6,9-11,17H,1-4,7-8,16H2
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1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(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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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156407
PNG
(4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-1H-indol-6...)
Show SMILES CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
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2.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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2.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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3.10n/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073690
PNG
(2-(5-Cyclohexyl-1H-indol-3-yl)-ethylamine | CHEMBL...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C1CCCCC1
Show InChI InChI=1S/C16H22N2/c17-9-8-14-11-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h6-7,10-12,18H,1-5,8-9,17H2
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3.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049086
PNG
(2-(5-Ethyl-1H-indol-3-yl)-ethylamine | CHEMBL10751...)
Show SMILES CCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H16N2/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50106484
PNG
(CHEMBL421287 | N-[3-(2-Dimethylamino-ethyl)-1H-ind...)
Show SMILES CN(C)CCc1c[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
Show InChI InChI=1S/C19H20FN3O/c1-23(2)11-10-14-12-21-16-4-3-5-17(18(14)16)22-19(24)13-6-8-15(20)9-7-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,24)
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156410
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol...)
Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)19-17-12-16(6-7-18(17)23-24-19)22-20(26)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,24)
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3.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156411
PNG
(4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-1H-indazol...)
Show SMILES CN1CCC(CC1)n1ncc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H21FN4O/c1-24-10-8-18(9-11-24)25-19-12-17(7-4-15(19)13-22-25)23-20(26)14-2-5-16(21)6-3-14/h2-7,12-13,18H,8-11H2,1H3,(H,23,26)
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4.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50033437
PNG
(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073689
PNG
((R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-...)
Show SMILES CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(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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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156404
PNG
(4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-7,14,19H,8-13H2,1H3,(H,23,26)
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4.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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6.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073685
PNG
(CHEMBL147454 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CCCNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C17H26N2/c1-5-9-18-10-8-13-12-19-16-7-6-14(11-15(13)16)17(2,3)4/h6-7,11-12,18-19H,5,8-10H2,1-4H3
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6.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073691
PNG
(2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...)
Show SMILES Cc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50130443
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)16-12-22-17-6-7-18(23-19(16)17)24-20(26)14-2-4-15(21)5-3-14/h2-7,12-13,22H,8-11H2,1H3,(H,23,24,26)
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7.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50137542
PNG
(CHEMBL178066 | N-[3-(2-Dimethylamino-ethyl)-2-meth...)
Show SMILES CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H22FN3O/c1-13-17(10-11-24(2)3)18-12-16(8-9-19(18)22-13)23-20(25)14-4-6-15(21)7-5-14/h4-9,12,22H,10-11H2,1-3H3,(H,23,25)
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8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1F receptor using [3H]-5-HT radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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8.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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8.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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9.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50033437
PNG
(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
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PubMed
10.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073689
PNG
((R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-...)
Show SMILES CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
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PubMed
10.3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073683
PNG
(CHEMBL343025 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C20H32N2/c1-6-11-22(12-7-2)13-10-16-15-21-19-9-8-17(14-18(16)19)20(3,4)5/h8-9,14-15,21H,6-7,10-13H2,1-5H3
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PubMed
10.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50156407
PNG
(4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-1H-indol-6...)
Show SMILES CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50156404
PNG
(4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-7,14,19H,8-13H2,1H3,(H,23,26)
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (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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PubMed
13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50137537
PNG
(CHEMBL369391 | N-[3-(2-Dimethylamino-ethyl)-2-meth...)
Show SMILES CN(C)CCc1c(C)oc2ccc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24)
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor


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


BindingDB Entry DOI: 10.7270/Q2S46RCF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156412
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]is...)
Show SMILES CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)19-17-12-16(6-7-18(17)26-23-19)22-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,25)
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PubMed
17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
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