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PubMed code 11708905

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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))
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 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))
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))
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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25.7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 44: 4031-4 (2001)


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


(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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265n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-5-HT as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(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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380n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 4 receptor using [3H]5-HT as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(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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676n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 2B receptor using [3H]5-HT as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand


J Med Chem 44: 4031-4 (2001)


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


(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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1.06E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B 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 7


(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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1.46E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor using [3H]5-HT as radioligand


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))
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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1.62E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor was determined using [3H]5-HT as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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1.77E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor using [3H]LSD as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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2.20E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-HT2C receptor was determined using [125I]- DOI as radioligand


J Med Chem 44: 4031-4 (2001)


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


(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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>4.83E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1E receptor was determined using [3H]5-HT as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
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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1.20E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat histamine H1 receptor was determined using [3H]pyrilamine as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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3.80E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat dopamine D2 receptor was determined using [3H]raclopride as radioligand


J Med Chem 44: 4031-4 (2001)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat dopamine receptor D1 was determined using [3H]SCH-23390 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))
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)


BindingDB Entry DOI: 10.7270/Q22Z168B
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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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)


BindingDB Entry DOI: 10.7270/Q22Z168B
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/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)


BindingDB Entry DOI: 10.7270/Q22Z168B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%