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Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'shimpukade' and Initial = 'b'   
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 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.330n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.370n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365005
PNG
(CHEMBL1950777)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-25-13-22(16-5-3-4-6-19(16)25)29(27,28)15-8-10-20-17(12-15)23-18-9-7-14(24-18)11-21(23)26(20)2/h3-6,8,10,12-14,18,24H,7,9,11H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364978
PNG
(CHEMBL1950773)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-24-20-9-7-16(13-17(20)22-18-8-6-15(23-18)12-21(22)24)28(26,27)25-11-10-14-4-2-3-5-19(14)25/h2-5,7,9-11,13,15,18,23H,6,8,12H2,1H3
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0.850n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364978
PNG
(CHEMBL1950773)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-24-20-9-7-16(13-17(20)22-18-8-6-15(23-18)12-21(22)24)28(26,27)25-11-10-14-4-2-3-5-19(14)25/h2-5,7,9-11,13,15,18,23H,6,8,12H2,1H3
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0.850n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364979
PNG
(CHEMBL1950774)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
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1.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364978
PNG
(CHEMBL1950773)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-24-20-9-7-16(13-17(20)22-18-8-6-15(23-18)12-21(22)24)28(26,27)25-11-10-14-4-2-3-5-19(14)25/h2-5,7,9-11,13,15,18,23H,6,8,12H2,1H3
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1.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364979
PNG
(CHEMBL1950774)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
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1.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364979
PNG
(CHEMBL1950774)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
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1.30n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364976
PNG
(CHEMBL1950760)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2S/c1-23-18-8-6-15(26(24,25)14-4-2-3-12(21)9-14)11-16(18)20-17-7-5-13(22-17)10-19(20)23/h2-4,6,8-9,11,13,17,22H,5,7,10H2,1H3
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1.80n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364976
PNG
(CHEMBL1950760)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2S/c1-23-18-8-6-15(26(24,25)14-4-2-3-12(21)9-14)11-16(18)20-17-7-5-13(22-17)10-19(20)23/h2-4,6,8-9,11,13,17,22H,5,7,10H2,1H3
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1.80n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364976
PNG
(CHEMBL1950760)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2S/c1-23-18-8-6-15(26(24,25)14-4-2-3-12(21)9-14)11-16(18)20-17-7-5-13(22-17)10-19(20)23/h2-4,6,8-9,11,13,17,22H,5,7,10H2,1H3
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1.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364977
PNG
(CHEMBL1950762)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2S/c1-26-18-8-6-15(11-16(18)20-17-7-5-13(25-17)10-19(20)26)29(27,28)14-4-2-3-12(9-14)21(22,23)24/h2-4,6,8-9,11,13,17,25H,5,7,10H2,1H3
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2.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364977
PNG
(CHEMBL1950762)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2S/c1-26-18-8-6-15(11-16(18)20-17-7-5-13(25-17)10-19(20)26)29(27,28)14-4-2-3-12(9-14)21(22,23)24/h2-4,6,8-9,11,13,17,25H,5,7,10H2,1H3
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2.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364977
PNG
(CHEMBL1950762)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2S/c1-26-18-8-6-15(11-16(18)20-17-7-5-13(25-17)10-19(20)26)29(27,28)14-4-2-3-12(9-14)21(22,23)24/h2-4,6,8-9,11,13,17,25H,5,7,10H2,1H3
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3.70n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364991
PNG
(CHEMBL1950757)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2S/c1-23-18-8-6-15(26(24,25)14-4-2-3-12(21)9-14)11-16(18)20-17-7-5-13(22-17)10-19(20)23/h2-4,6,8-9,11,13,17,22H,5,7,10H2,1H3
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4.10n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364990
PNG
(CHEMBL1950756)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H19FN2O2S/c1-23-17-9-7-13(26(24,25)19-5-3-2-4-15(19)21)11-14(17)20-16-8-6-12(22-16)10-18(20)23/h2-5,7,9,11-12,16,22H,6,8,10H2,1H3
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4.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364993
PNG
(CHEMBL1950759)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H19ClN2O2S/c1-23-17-9-7-13(26(24,25)19-5-3-2-4-15(19)21)11-14(17)20-16-8-6-12(22-16)10-18(20)23/h2-5,7,9,11-12,16,22H,6,8,10H2,1H3
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4.80n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364996
PNG
(CHEMBL1950764)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(N)c1
Show InChI InChI=1S/C20H21N3O2S/c1-23-18-8-6-15(26(24,25)14-4-2-3-12(21)9-14)11-16(18)20-17-7-5-13(22-17)10-19(20)23/h2-4,6,8-9,11,13,17,22H,5,7,10,21H2,1H3
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6.30n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364995
PNG
(CHEMBL1950763)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N2O3S/c1-26-18-8-6-15(11-16(18)20-17-7-5-12(25-17)9-19(20)26)30(27,28)14-4-2-3-13(10-14)29-21(22,23)24/h2-4,6,8,10-12,17,25H,5,7,9H2,1H3
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7.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364985
PNG
(CHEMBL1950751)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O2S/c1-22-14-8-10-19(22)21-17-13-16(9-11-18(17)23(2)20(21)12-14)26(24,25)15-6-4-3-5-7-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3
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7.80n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104264
PNG
(CHEMBL1950750 | US8575186, 27)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-22-18-10-8-15(25(23,24)14-5-3-2-4-6-14)12-16(18)20-17-9-7-13(21-17)11-19(20)22/h2-6,8,10,12-13,17,21H,7,9,11H2,1H3
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8.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104264
PNG
(CHEMBL1950750 | US8575186, 27)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-22-18-10-8-15(25(23,24)14-5-3-2-4-6-14)12-16(18)20-17-9-7-13(21-17)11-19(20)22/h2-6,8,10,12-13,17,21H,7,9,11H2,1H3
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8.20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364997
PNG
(CHEMBL1950765)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O3S/c1-22-18-8-6-15(26(24,25)14-4-2-3-13(23)10-14)11-16(18)20-17-7-5-12(21-17)9-19(20)22/h2-4,6,8,10-12,17,21,23H,5,7,9H2,1H3
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11n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104264
PNG
(CHEMBL1950750 | US8575186, 27)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-22-18-10-8-15(25(23,24)14-5-3-2-4-6-14)12-16(18)20-17-9-7-13(21-17)11-19(20)22/h2-6,8,10,12-13,17,21H,7,9,11H2,1H3
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15n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365004
PNG
(CHEMBL1950772)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1cccc1
Show InChI InChI=1S/C18H19N3O2S/c1-20-16-7-5-13(24(22,23)21-8-2-3-9-21)11-14(16)18-15-6-4-12(19-15)10-17(18)20/h2-3,5,7-9,11-12,15,19H,4,6,10H2,1H3
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32n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364998
PNG
(CHEMBL1950766)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C21H19N3O2S/c1-24-19-8-6-16(27(25,26)15-4-2-3-13(9-15)12-22)11-17(19)21-18-7-5-14(23-18)10-20(21)24/h2-4,6,8-9,11,14,18,23H,5,7,10H2,1H3
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35n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364994
PNG
(CHEMBL1950761)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-23-18-9-7-15(26(24,25)14-5-2-12(21)3-6-14)11-16(18)20-17-8-4-13(22-17)10-19(20)23/h2-3,5-7,9,11,13,17,22H,4,8,10H2,1H3
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37n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365002
PNG
(CHEMBL1950770)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccsc1
Show InChI InChI=1S/C18H18N2O2S2/c1-20-16-5-3-12(24(21,22)13-6-7-23-10-13)9-14(16)18-15-4-2-11(19-15)8-17(18)20/h3,5-7,9-11,15,19H,2,4,8H2,1H3
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51n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364988
PNG
(CHEMBL1950754)
Show SMILES CCn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O2S/c1-2-23-19-11-9-16(26(24,25)15-6-4-3-5-7-15)13-17(19)21-18-10-8-14(22-18)12-20(21)23/h3-7,9,11,13-14,18,22H,2,8,10,12H2,1H3
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52n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364987
PNG
(CHEMBL1950753)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2[nH]c3CC4CCC(N4)c3c2c1
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,13-4-2-1-3-5-13)14-7-9-16-15(11-14)19-17-8-6-12(20-17)10-18(19)21-16/h1-5,7,9,11-12,17,20-21H,6,8,10H2
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54n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104265
PNG
(CHEMBL1950758 | US8575186, 28)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O2S/c1-23-18-9-7-15(26(24,25)14-5-2-12(21)3-6-14)11-16(18)20-17-8-4-13(22-17)10-19(20)23/h2-3,5-7,9,11,13,17,22H,4,8,10H2,1H3
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60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364986
PNG
(CHEMBL1950752)
Show SMILES CCN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-3-24-15-9-11-20(24)22-18-14-17(10-12-19(18)23(2)21(22)13-15)27(25,26)16-7-5-4-6-8-16/h4-8,10,12,14-15,20H,3,9,11,13H2,1-2H3
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91n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364983
PNG
(CHEMBL1950749)
Show SMILES Cn1c2CC3CCC(N3)c2c2ccc(cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-22-18-12-15(25(23,24)14-5-3-2-4-6-14)8-9-16(18)20-17-10-7-13(21-17)11-19(20)22/h2-6,8-9,12-13,17,21H,7,10-11H2,1H3
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131n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365000
PNG
(CHEMBL1950768)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C19H19N3O2S/c1-22-17-7-5-13(25(23,24)14-3-2-8-20-11-14)10-15(17)19-16-6-4-12(21-16)9-18(19)22/h2-3,5,7-8,10-12,16,21H,4,6,9H2,1H3
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156n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364999
PNG
(CHEMBL1950767)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H19N3O2S/c1-22-16-8-6-13(25(23,24)18-4-2-3-9-20-18)11-14(16)19-15-7-5-12(21-15)10-17(19)22/h2-4,6,8-9,11-12,15,21H,5,7,10H2,1H3
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192n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364989
PNG
(CHEMBL1950755)
Show SMILES CC(C)n1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-14(2)24-20-11-9-17(27(25,26)16-6-4-3-5-7-16)13-18(20)22-19-10-8-15(23-19)12-21(22)24/h3-7,9,11,13-15,19,23H,8,10,12H2,1-2H3
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350n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364982
PNG
(CHEMBL1950748)
Show SMILES Cn1c2CC3CCC(N3)c2c2cccc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-22-17-12-13-10-11-16(21-13)19(17)15-8-5-9-18(20(15)22)25(23,24)14-6-3-2-4-7-14/h2-9,13,16,21H,10-12H2,1H3
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814n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365003
PNG
(CHEMBL1950771)
Show SMILES Cn1ccc(n1)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1
Show InChI InChI=1S/C18H20N4O2S/c1-21-8-7-17(20-21)25(23,24)12-4-6-15-13(10-12)18-14-5-3-11(19-14)9-16(18)22(15)2/h4,6-8,10-11,14,19H,3,5,9H2,1-2H3
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1.01E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365001
PNG
(CHEMBL1950769)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccncc1
Show InChI InChI=1S/C19H19N3O2S/c1-22-17-5-3-14(25(23,24)13-6-8-20-9-7-13)11-15(17)19-16-4-2-12(21-16)10-18(19)22/h3,5-9,11-12,16,21H,2,4,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196326
PNG
(CHEMBL3904654)
Show SMILES O=S1(=O)N(Cc2ccccc12)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H15NO3S/c21-24(22)19-12-5-4-7-15(19)14-20(24)16-8-6-11-18(13-16)23-17-9-2-1-3-10-17/h1-13H,14H2
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n/an/a 174n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196400
PNG
(CHEMBL3979588)
Show SMILES Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
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n/an/a 617n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196395
PNG
(CHEMBL3958418)
Show SMILES Fc1cc(OCc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H16FNO3S/c21-17-10-18(12-19(11-17)25-14-15-6-2-1-3-7-15)22-13-16-8-4-5-9-20(16)26(22,23)24/h1-12H,13-14H2
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196399
PNG
(CHEMBL3932897)
Show SMILES Cc1ccc(Oc2cc(F)cc(c2)N2Cc3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C20H16FNO3S/c1-14-6-8-18(9-7-14)25-19-11-16(21)10-17(12-19)22-13-15-4-2-3-5-20(15)26(22,23)24/h2-12H,13H2,1H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196407
PNG
(CHEMBL3923955)
Show SMILES Fc1cc(Oc2cccc(c2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-5-1-2-7-20(15)27(23,24)25)11-19(10-16)26-18-6-3-4-14(8-18)12-22/h1-11H,13H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196324
PNG
(CHEMBL3945213)
Show SMILES Fc1cc(Oc2ccccc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H14FNO3S/c20-15-10-16(12-18(11-15)24-17-7-2-1-3-8-17)21-13-14-6-4-5-9-19(14)25(21,22)23/h1-12H,13H2
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n/an/a 3.89E+3n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
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