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Patent code US9481688

Compile Data Set for Download or QSAR
Found 24 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 2A


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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US Patent
3.37 -48.4n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Ketanserin binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressi...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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7.01 -46.5n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Ketanserin binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressi...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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20.6 -43.9n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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58.8 -41.3n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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121n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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137 -39.2n/an/an/an/an/an/a25



Eli Lilly and Company

US Patent


Assay Description
[125I]-(±)DOI binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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328 -37.0n/an/an/an/an/an/a25



Eli Lilly and Company

US Patent


Assay Description
[125I]-(±)DOI binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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592n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>2.06E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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2.78E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>3.98E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>4.23E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>4.57E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.51E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.58E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.68E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.76E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.83E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>8.81E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
PDB

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>8.99E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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UniChem
US Patent
>1.02E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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antibodypedia
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US Patent
>1.47E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Activity of compounds on native GABAA receptors is evaluated by monitoring calcium fluxes using a 96 well format FLIPR system (Fluorometric Imaging P...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%