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Patent code US10183913

Compile Data Set for Download or QSAR
Found 128 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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322074
PNG
(1-{1-(cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
Show InChI InChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3
PDB

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US Patent
0.340n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322125
PNG
(1-(5-[(2,5-difluorobenzyl)oxy]-1-{[1-(trifluoro-me...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H22F5N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3
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0.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322090
PNG
(US10183913, Example 242)
Show SMILES CCCCn1nc(CNC)cc1OCc1cc(F)ccc1F
Show InChI InChI=1S/C16H21F2N3O/c1-3-4-7-21-16(9-14(20-21)10-19-2)22-11-12-8-13(17)5-6-15(12)18/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322118
PNG
(US10183913, Example 400)
Show SMILES CCC(CC)CCn1nc(CNC)cc1OCc1cc(C)ccc1F
Show InChI InChI=1S/C20H30FN3O/c1-5-16(6-2)9-10-24-20(12-18(23-24)13-22-4)25-14-17-11-15(3)7-8-19(17)21/h7-8,11-12,16,22H,5-6,9-10,13-14H2,1-4H3
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0.540n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322097
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(3-methylbutyl)-1...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-12(2)6-7-22-17(9-15(21-22)10-20-3)23-11-13-8-14(18)4-5-16(13)19/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3
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US Patent
0.590n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322122
PNG
(1-(2-{5-[(5-Chloro-2-fluorobenzyl)oxy]-3-[(methyla...)
Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33ClFN3O4/c1-23(2,3)33-22(30)28(4)15-19-14-21(32-16-17-13-18(25)7-8-20(17)26)29(27-19)12-11-24(31)9-5-6-10-24/h7-8,13-14,31H,5-6,9-12,15-16H2,1-4H3
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0.600n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322094
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylprop...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
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0.660n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322096
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbuty...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)C)n1
Show InChI InChI=1S/C18H25F2N3O/c1-18(2,3)7-8-23-17(10-15(22-23)11-21-4)24-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3
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0.690n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322083
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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0.710n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322079
PNG
(US10183913, Example 124)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H23F4N3O/c1-24-10-16-9-18(27-12-14-8-15(20)2-3-17(14)21)26(25-16)11-13-4-6-19(22,23)7-5-13/h2-3,8-9,13,24H,4-7,10-12H2,1H3
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0.710n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322132
PNG
(1-{5-[(2,5-Difluorobenzyl)oxy]-1-(3-fluoro-3-methy...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1
Show InChI InChI=1S/C17H22F3N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3
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0.850n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322103
PNG
(1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1
Show InChI InChI=1S/C19H27N3O/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322086
PNG
(1-[5-(Benzyloxy)-1-(2-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1
Show InChI InChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3
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0.910n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322073
PNG
(1-{1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylbenzy...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322106
PNG
(1-[5-(Benzyloxy)-1-(1-cyclohexyl-2-fluoroethyl)-1H...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(CF)C1CCCCC1
Show InChI InChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3
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0.960n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322114
PNG
(1-{1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...)
Show SMILES CN(Cc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H32F3N3O3/c1-24(2,3)33-23(31)29(4)14-20-21(27)22(30(28-20)13-16-8-6-5-7-9-16)32-15-17-12-18(25)10-11-19(17)26/h10-12,16H,5-9,13-15H2,1-4H3
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0.980n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322120
PNG
(US10183913, Example 426)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC2CC2)n1
Show InChI InChI=1S/C17H20F3N3O/c1-21-9-13-7-17(23(22-13)5-4-11-2-3-11)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,2-5,9-10H2,1H3
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0.990n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322100
PNG
(N-Methyl-1-{1-(3-methylbutyl)-5-[(2,4,5-trifluorob...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H22F3N3O/c1-11(2)4-5-23-17(7-13(22-23)9-21-3)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,4-5,9-10H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322107
PNG
(US10183913, Example 331)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2(C)CCCCC2)n1
Show InChI InChI=1S/C20H29N3O/c1-20(11-7-4-8-12-20)16-23-19(13-18(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,21H,4,7-8,11-12,14-16H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322077
PNG
(US10183913, Example 115)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CC3CCC2C3)n1
Show InChI InChI=1S/C20H27N3O/c1-21-12-19-11-20(24-14-15-5-3-2-4-6-15)23(22-19)13-18-10-16-7-8-17(18)9-16/h2-6,11,16-18,21H,7-10,12-14H2,1H3
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1.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322092
PNG
(US10183913, Example 253)
Show SMILES CCC(CC)n1nc(CNC)cc1OCc1ccc(F)cc1Cl
Show InChI InChI=1S/C17H23ClFN3O/c1-4-15(5-2)22-17(9-14(21-22)10-20-3)23-11-12-6-7-13(19)8-16(12)18/h6-9,15,20H,4-5,10-11H2,1-3H3
PDB

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1.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322072
PNG
(1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3
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1.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322088
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-fluorobenzyl)-...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H18F3N3O/c1-23-10-17-9-19(26-12-14-8-16(21)6-7-18(14)22)25(24-17)11-13-2-4-15(20)5-3-13/h2-9,23H,10-12H2,1H3
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1.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322093
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2-methylpro...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)C)n1
Show InChI InChI=1S/C16H21ClFN3O/c1-11(2)9-21-16(7-14(20-21)8-19-3)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,8-10H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322099
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,4,5-trifluorobenzyl...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H22F3N3O/c1-22-9-14-7-18(24(23-14)10-12-4-2-3-5-12)25-11-13-6-16(20)17(21)8-15(13)19/h6-8,12,22H,2-5,9-11H2,1H3
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1.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322084
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopentyl...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23ClFN3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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1.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322076
PNG
(US10183913, Example 108)
Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1
Show InChI InChI=1S/C19H26FN3O2/c1-14-9-16(20)7-6-15(14)13-25-19-10-17(11-21-2)22-23(19)12-18-5-3-4-8-24-18/h6-7,9-10,18,21H,3-5,8,11-13H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322082
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,4-difluorobenzyl)ox...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-6-7-15(19)8-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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2.20n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322130
PNG
((-)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322089
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-methylbenzyl)-...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(C)cc2)n1
Show InChI InChI=1S/C20H21F2N3O/c1-14-3-5-15(6-4-14)12-25-20(10-18(24-25)11-23-2)26-13-16-9-17(21)7-8-19(16)22/h3-10,23H,11-13H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322095
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2,2-dimethy...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23ClFN3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322133
PNG
(1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(3-fluoro-3-...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)F)n1
Show InChI InChI=1S/C17H22ClF2N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322074
PNG
(1-{1-(cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
Show InChI InChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3
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2.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322133
PNG
(1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(3-fluoro-3-...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)F)n1
Show InChI InChI=1S/C17H22ClF2N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322112
PNG
(1-{1-(Cyclohexylmethyl)-5-[difluoro(phenyl)methoxy...)
Show SMILES CN(Cc1cc(OC(F)(F)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33F2N3O3/c1-23(2,3)32-22(30)28(4)17-20-15-21(29(27-20)16-18-11-7-5-8-12-18)31-24(25,26)19-13-9-6-10-14-19/h6,9-10,13-15,18H,5,7-8,11-12,16-17H2,1-4H3
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3n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322131
PNG
((+)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322117
PNG
(1-{5-[(2-fluorobenzyl)oxy]-1-(3-methylbutyl)-1H-py...)
Show SMILES CNCc1cc(OCc2ccccc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H24FN3O/c1-13(2)8-9-21-17(10-15(20-21)11-19-3)22-12-14-6-4-5-7-16(14)18/h4-7,10,13,19H,8-9,11-12H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322105
PNG
(2-{5-(Benzyloxy)-3-[(methylamino)methyl]-1H-pyrazo...)
Show SMILES CN(Cc1cc(OCc2ccccc2)n(n1)C(CO)C1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H37N3O4/c1-25(2,3)32-24(30)27(4)16-21-15-23(31-18-19-11-7-5-8-12-19)28(26-21)22(17-29)20-13-9-6-10-14-20/h5,7-8,11-12,15,20,22,29H,6,9-10,13-14,16-18H2,1-4H3
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3.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322104
PNG
(1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenzyl)o...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322080
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopropyl...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1
Show InChI InChI=1S/C16H19ClFN3O/c1-19-8-14-7-16(21(20-14)9-11-2-3-11)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,2-3,8-10H2,1H3
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3.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322126
PNG
(1-(5-[(5-chloro-2-fluorobenzyl)oxy]-1-{[1-(trifluo...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H22ClF4N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3
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3.80n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322086
PNG
(1-[5-(Benzyloxy)-1-(2-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1
Show InChI InChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3
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3.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322091
PNG
(US10183913, Example 248)
Show SMILES CCCCCCCn1nc(CNC)cc1OCc1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322072
PNG
(1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3
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4.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322122
PNG
(1-(2-{5-[(5-Chloro-2-fluorobenzyl)oxy]-3-[(methyla...)
Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33ClFN3O4/c1-23(2,3)33-22(30)28(4)15-19-14-21(32-16-17-13-18(25)7-8-20(17)26)29(27-19)12-11-24(31)9-5-6-10-24/h7-8,13-14,31H,5-6,9-12,15-16H2,1-4H3
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4.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322096
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbuty...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)C)n1
Show InChI InChI=1S/C18H25F2N3O/c1-18(2,3)7-8-23-17(10-15(22-23)11-21-4)24-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3
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4.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322121
PNG
(US10183913, Example 434)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCCC2)OC)n1
Show InChI InChI=1S/C20H27ClFN3O2/c1-23-12-17-11-19(27-13-15-10-16(21)6-7-18(15)22)25(24-17)14-20(26-2)8-4-3-5-9-20/h6-7,10-11,23H,3-5,8-9,12-14H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322084
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopentyl...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23ClFN3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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4.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322083
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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4.80n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322075
PNG
(US10183913, Example 42)
Show SMILES CNCc1cc(OCc2cccc(C)c2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H29N3O/c1-16-7-6-10-18(11-16)15-24-20-12-19(13-21-2)22-23(20)14-17-8-4-3-5-9-17/h6-7,10-12,17,21H,3-5,8-9,13-15H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322123
PNG
(US10183913, Example 442)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CC2)C(F)(F)F)n1
Show InChI InChI=1S/C17H18ClF4N3O/c1-23-8-13-7-15(26-9-11-6-12(18)2-3-14(11)19)25(24-13)10-16(4-5-16)17(20,21)22/h2-3,6-7,23H,4-5,8-10H2,1H3
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4.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322089
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-methylbenzyl)-...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(C)cc2)n1
Show InChI InChI=1S/C20H21F2N3O/c1-14-3-5-15(6-4-14)12-25-20(10-18(24-25)11-23-2)26-13-16-9-17(21)7-8-19(16)22/h3-10,23H,11-13H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322070
PNG
(1-[1-Benzyl-5-(benzyloxy)-1H-pyrazol-3-yl]-N-methy...)
Show SMILES CNCc1cc(OCc2ccccc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C19H21N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3
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4.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322127
PNG
(US10183913, Example 458)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2C)n(CCC(C)C)n1
Show InChI InChI=1S/C19H28FN3O/c1-13(2)8-9-23-19(11-18(22-23)15(4)21-5)24-12-16-10-17(20)7-6-14(16)3/h6-7,10-11,13,15,21H,8-9,12H2,1-5H3
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5.10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322073
PNG
(1-{1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylbenzy...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322118
PNG
(US10183913, Example 400)
Show SMILES CCC(CC)CCn1nc(CNC)cc1OCc1cc(C)ccc1F
Show InChI InChI=1S/C20H30FN3O/c1-5-16(6-2)9-10-24-20(12-18(23-24)13-22-4)25-14-17-11-15(3)7-8-19(17)21/h7-8,11-12,16,22H,5-6,9-10,13-14H2,1-4H3
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5.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322077
PNG
(US10183913, Example 115)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CC3CCC2C3)n1
Show InChI InChI=1S/C20H27N3O/c1-21-12-19-11-20(24-14-15-5-3-2-4-6-15)23(22-19)13-18-10-16-7-8-17(18)9-16/h2-6,11,16-18,21H,7-10,12-14H2,1H3
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5.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322071
PNG
(1-[5-(Benzyloxy)-1-(3-phenylpropyl)-1H-pyrazol-3-y...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1
Show InChI InChI=1S/C21H25N3O/c1-22-16-20-15-21(25-17-19-11-6-3-7-12-19)24(23-20)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,15,22H,8,13-14,16-17H2,1H3
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5.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322102
PNG
(N-Methyl-1-{1-(4-methylbenzyl)-5-[(2,4,5-trifluoro...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(Cc2ccc(C)cc2)n1
Show InChI InChI=1S/C20H20F3N3O/c1-13-3-5-14(6-4-13)11-26-20(8-16(25-26)10-24-2)27-12-15-7-18(22)19(23)9-17(15)21/h3-9,24H,10-12H2,1-2H3
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5.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322101
PNG
(1-{1-(3,3-Dimethylbutyl)-5-[(2,4,5-trifluorobenzyl...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1
Show InChI InChI=1S/C18H24F3N3O/c1-18(2,3)5-6-24-17(8-13(23-24)10-22-4)25-11-12-7-15(20)16(21)9-14(12)19/h7-9,22H,5-6,10-11H2,1-4H3
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5.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322107
PNG
(US10183913, Example 331)
Show SMILES CNCc1cc(OCc2ccccc2)n(CC2(C)CCCCC2)n1
Show InChI InChI=1S/C20H29N3O/c1-20(11-7-4-8-12-20)16-23-19(13-18(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,21H,4,7-8,11-12,14-16H2,1-2H3
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5.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322095
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2,2-dimethy...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23ClFN3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
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6.20n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322100
PNG
(N-Methyl-1-{1-(3-methylbutyl)-5-[(2,4,5-trifluorob...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H22F3N3O/c1-11(2)4-5-23-17(7-13(22-23)9-21-3)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,4-5,9-10H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322102
PNG
(N-Methyl-1-{1-(4-methylbenzyl)-5-[(2,4,5-trifluoro...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(Cc2ccc(C)cc2)n1
Show InChI InChI=1S/C20H20F3N3O/c1-13-3-5-14(6-4-13)11-26-20(8-16(25-26)10-24-2)27-12-15-7-18(22)19(23)9-17(15)21/h3-9,24H,10-12H2,1-2H3
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6.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322081
PNG
(1-{1-(cyclopentylmethyl)-5-[(4-fluorobenzyl)oxy]-1...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H24FN3O/c1-20-11-17-10-18(22(21-17)12-14-4-2-3-5-14)23-13-15-6-8-16(19)9-7-15/h6-10,14,20H,2-5,11-13H2,1H3
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6.60n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322097
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(3-methylbutyl)-1...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-12(2)6-7-22-17(9-15(21-22)10-20-3)23-11-13-8-14(18)4-5-16(13)19/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3
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6.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322110
PNG
(N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3
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6.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322124
PNG
(1-(5-[(4-fluorobenzyl)oxy]-1-{[1-(trifluoromethyl)...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H23F4N3O/c1-24-11-16-10-17(27-12-14-4-6-15(20)7-5-14)26(25-16)13-18(19(21,22)23)8-2-3-9-18/h4-7,10,24H,2-3,8-9,11-13H2,1H3
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7.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322078
PNG
(US10183913, Example 122)
Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2C3)n1
Show InChI InChI=1S/C19H24ClN3O2/c1-21-10-16-9-19(24-12-13-3-2-4-15(20)7-13)23(22-16)11-18-14-5-6-17(8-14)25-18/h2-4,7,9,14,17-18,21H,5-6,8,10-12H2,1H3
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7.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322085
PNG
(US10183913, Example 162)
Show SMILES CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1
Show InChI InChI=1S/C19H24N4O/c1-21-12-18-10-19(23(22-18)13-15-6-2-3-7-15)24-14-17-9-5-4-8-16(17)11-20/h4-5,8-10,15,21H,2-3,6-7,12-14H2,1H3
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7.80n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322081
PNG
(1-{1-(cyclopentylmethyl)-5-[(4-fluorobenzyl)oxy]-1...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H24FN3O/c1-20-11-17-10-18(22(21-17)12-14-4-2-3-5-14)23-13-15-6-8-16(19)9-7-15/h6-10,14,20H,2-5,11-13H2,1H3
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7.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322101
PNG
(1-{1-(3,3-Dimethylbutyl)-5-[(2,4,5-trifluorobenzyl...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1
Show InChI InChI=1S/C18H24F3N3O/c1-18(2,3)5-6-24-17(8-13(23-24)10-22-4)25-11-12-7-15(20)16(21)9-14(12)19/h7-9,22H,5-6,10-11H2,1-4H3
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7.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322078
PNG
(US10183913, Example 122)
Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2C3)n1
Show InChI InChI=1S/C19H24ClN3O2/c1-21-10-16-9-19(24-12-13-3-2-4-15(20)7-13)23(22-16)11-18-14-5-6-17(8-14)25-18/h2-4,7,9,14,17-18,21H,5-6,8,10-12H2,1H3
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8.10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322121
PNG
(US10183913, Example 434)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCCC2)OC)n1
Show InChI InChI=1S/C20H27ClFN3O2/c1-23-12-17-11-19(27-13-15-10-16(21)6-7-18(15)22)25(24-17)14-20(26-2)8-4-3-5-9-20/h6-7,10-11,23H,3-5,8-9,12-14H2,1-2H3
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8.10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322082
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,4-difluorobenzyl)ox...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-6-7-15(19)8-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
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8.30n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322109
PNG
(N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1
Show InChI InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2
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8.5n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322126
PNG
(1-(5-[(5-chloro-2-fluorobenzyl)oxy]-1-{[1-(trifluo...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H22ClF4N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3
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8.80n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322129
PNG
((+)-1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(tetrahy...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1
Show InChI InChI=1S/C18H23ClFN3O2/c1-21-10-15-9-18(23(22-15)11-16-4-2-3-7-24-16)25-12-13-8-14(19)5-6-17(13)20/h5-6,8-9,16,21H,2-4,7,10-12H2,1H3
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9.20n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322091
PNG
(US10183913, Example 248)
Show SMILES CCCCCCCn1nc(CNC)cc1OCc1ccccc1
Show InChI InChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3
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9.40n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322087
PNG
(1-{1-(4-fluorobenzyl)-5-[(2-fluorobenzyl)oxy]-1H-p...)
Show SMILES CNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H19F2N3O/c1-22-11-17-10-19(25-13-15-4-2-3-5-18(15)21)24(23-17)12-14-6-8-16(20)9-7-14/h2-10,22H,11-13H2,1H3
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9.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322099
PNG
(1-{1-(cyclopentylmethyl)-5-[(2,4,5-trifluorobenzyl...)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CC2CCCC2)n1
Show InChI InChI=1S/C18H22F3N3O/c1-22-9-14-7-18(24(23-14)10-12-4-2-3-5-12)25-11-13-6-16(20)17(21)8-15(13)19/h6-8,12,22H,2-5,9-11H2,1H3
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9.70n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322131
PNG
((+)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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9.90n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322117
PNG
(1-{5-[(2-fluorobenzyl)oxy]-1-(3-methylbutyl)-1H-py...)
Show SMILES CNCc1cc(OCc2ccccc2F)n(CCC(C)C)n1
Show InChI InChI=1S/C17H24FN3O/c1-13(2)8-9-21-17(10-15(20-21)11-19-3)22-12-14-6-4-5-7-16(14)18/h4-7,10,13,19H,8-9,11-12H2,1-3H3
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10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322080
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(cyclopropyl...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1
Show InChI InChI=1S/C16H19ClFN3O/c1-19-8-14-7-16(21(20-14)9-11-2-3-11)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,2-3,8-10H2,1H3
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10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322116
PNG
(N-Benzyl-1-(cyclohexylmethyl)-3-[(methyl]-1H-pyraz...)
Show SMILES CN(Cc1cc(NC(=O)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H34N4O3/c1-24(2,3)31-23(30)27(4)17-20-15-21(25-22(29)19-13-9-6-10-14-19)28(26-20)16-18-11-7-5-8-12-18/h6,9-10,13-15,18H,5,7-8,11-12,16-17H2,1-4H3,(H,25,29)
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10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322087
PNG
(1-{1-(4-fluorobenzyl)-5-[(2-fluorobenzyl)oxy]-1H-p...)
Show SMILES CNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H19F2N3O/c1-22-11-17-10-19(25-13-15-4-2-3-5-18(15)21)24(23-17)12-14-6-8-16(20)9-7-14/h2-10,22H,11-13H2,1H3
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10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322088
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(4-fluorobenzyl)-...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H18F3N3O/c1-23-10-17-9-19(26-12-14-8-16(21)6-7-18(14)22)25(24-17)11-13-2-4-15(20)5-3-13/h2-9,23H,10-12H2,1H3
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10n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322119
PNG
(US10183913, Example 405)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)OC)n1
Show InChI InChI=1S/C17H23ClFN3O2/c1-12(23-3)6-7-22-17(9-15(21-22)10-20-2)24-11-13-8-14(18)4-5-16(13)19/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322098
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(3-methoxy-3...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)OC)n1
Show InChI InChI=1S/C18H25ClFN3O2/c1-18(2,24-4)7-8-23-17(10-15(22-23)11-21-3)25-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322113
PNG
(1-{5-[1-(3-Chlorophenyl)ethoxy]-1-(cyclohexylmethy...)
Show SMILES CNCc1cc(OC(C)c2cccc(Cl)c2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H28ClN3O/c1-15(17-9-6-10-18(21)11-17)25-20-12-19(13-22-2)23-24(20)14-16-7-4-3-5-8-16/h6,9-12,15-16,22H,3-5,7-8,13-14H2,1-2H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322128
PNG
((−)-1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(t...)
Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H31ClFN3O4/c1-23(2,3)32-22(29)27(4)13-18-12-21(28(26-18)14-19-7-5-6-10-30-19)31-15-16-11-17(24)8-9-20(16)25/h8-9,11-12,19H,5-7,10,13-15H2,1-4H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322123
PNG
(US10183913, Example 442)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CC2)C(F)(F)F)n1
Show InChI InChI=1S/C17H18ClF4N3O/c1-23-8-13-7-15(26-9-11-6-12(18)2-3-14(11)19)25(24-13)10-16(4-5-16)17(20,21)22/h2-3,6-7,23H,4-5,8-10H2,1H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322104
PNG
(1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenzyl)o...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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11n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322071
PNG
(1-[5-(Benzyloxy)-1-(3-phenylpropyl)-1H-pyrazol-3-y...)
Show SMILES CNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1
Show InChI InChI=1S/C21H25N3O/c1-22-16-20-15-21(25-17-19-11-6-3-7-12-19)24(23-20)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,15,22H,8,13-14,16-17H2,1H3
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12n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322093
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(2-methylpro...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)C)n1
Show InChI InChI=1S/C16H21ClFN3O/c1-11(2)9-21-16(7-14(20-21)8-19-3)22-10-12-6-13(17)4-5-15(12)18/h4-7,11,19H,8-10H2,1-3H3
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12n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322108
PNG
(1-{5-[(3-Chlorobenzyl)oxy]-1-(3,4-dihydro-2H-chrom...)
Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2CCc3ccccc3O2)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-24-13-19-12-22(27-15-16-5-4-7-18(23)11-16)26(25-19)14-20-10-9-17-6-2-3-8-21(17)28-20/h2-8,11-12,20,24H,9-10,13-15H2,1H3
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12n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322125
PNG
(1-(5-[(2,5-difluorobenzyl)oxy]-1-{[1-(trifluoro-me...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H22F5N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3
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13n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322111
PNG
(1-{1-(Cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES Fc1ccc(F)c(COc2cc(CN=[N+]=[N-])nn2CC2CCCC2)c1
Show InChI InChI=1S/C17H19F2N5O/c18-14-5-6-16(19)13(7-14)11-25-17-8-15(9-21-23-20)22-24(17)10-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2
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13n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322109
PNG
(N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1
Show InChI InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2
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14n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322120
PNG
(US10183913, Example 426)
Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC2CC2)n1
Show InChI InChI=1S/C17H20F3N3O/c1-21-9-13-7-17(23(22-13)5-4-11-2-3-11)24-10-12-6-15(19)16(20)8-14(12)18/h6-8,11,21H,2-5,9-10H2,1H3
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14n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322085
PNG
(US10183913, Example 162)
Show SMILES CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1
Show InChI InChI=1S/C19H24N4O/c1-21-12-18-10-19(23(22-18)13-15-6-2-3-7-15)24-14-17-9-5-4-8-16(17)11-20/h4-5,8-10,15,21H,2-3,6-7,12-14H2,1H3
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14n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322130
PNG
((-)-1-{1-(2-cyclopentylethyl)-5-[(2,5-difluorobenz...)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322128
PNG
((−)-1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(t...)
Show SMILES CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H31ClFN3O4/c1-23(2,3)32-22(29)27(4)13-18-12-21(28(26-18)14-19-7-5-6-10-30-19)31-15-16-11-17(24)8-9-20(16)25/h8-9,11-12,19H,5-7,10,13-15H2,1-4H3
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16n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322079
PNG
(US10183913, Example 124)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H23F4N3O/c1-24-10-16-9-18(27-12-14-8-15(20)2-3-17(14)21)26(25-16)11-13-4-6-19(22,23)7-5-13/h2-3,8-9,13,24H,4-7,10-12H2,1H3
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16n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322094
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylprop...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
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16n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322106
PNG
(1-[5-(Benzyloxy)-1-(1-cyclohexyl-2-fluoroethyl)-1H...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(CF)C1CCCCC1
Show InChI InChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3
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17n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322115
PNG
(1-[1-Benzyl-5-(benzylsulfanyl)-1H-pyrazol-3-yl]-N-...)
Show SMILES CN(Cc1cc(SCc2ccccc2)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H29N3O2S/c1-24(2,3)29-23(28)26(4)17-21-15-22(30-18-20-13-9-6-10-14-20)27(25-21)16-19-11-7-5-8-12-19/h5-15H,16-18H2,1-4H3
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17n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322112
PNG
(1-{1-(Cyclohexylmethyl)-5-[difluoro(phenyl)methoxy...)
Show SMILES CN(Cc1cc(OC(F)(F)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33F2N3O3/c1-23(2,3)32-22(30)28(4)17-20-15-21(29(27-20)16-18-11-7-5-8-12-18)31-24(25,26)19-13-9-6-10-14-19/h6,9-10,13-15,18H,5,7-8,11-12,16-17H2,1-4H3
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18n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322076
PNG
(US10183913, Example 108)
Show SMILES CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1
Show InChI InChI=1S/C19H26FN3O2/c1-14-9-16(20)7-6-15(14)13-25-19-10-17(11-21-2)22-23(19)12-18-5-3-4-8-24-18/h6-7,9-10,18,21H,3-5,8,11-13H2,1-2H3
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18n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322129
PNG
((+)-1-{5-[(5-Chloro-2-fluorobenzyl)oxy]-1-(tetrahy...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1
Show InChI InChI=1S/C18H23ClFN3O2/c1-21-10-15-9-18(23(22-15)11-16-4-2-3-7-24-16)25-12-13-8-14(19)5-6-17(13)20/h5-6,8-9,16,21H,2-4,7,10-12H2,1H3
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19n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322124
PNG
(1-(5-[(4-fluorobenzyl)oxy]-1-{[1-(trifluoromethyl)...)
Show SMILES CNCc1cc(OCc2ccc(F)cc2)n(CC2(CCCC2)C(F)(F)F)n1
Show InChI InChI=1S/C19H23F4N3O/c1-24-11-16-10-17(27-12-14-4-6-15(20)7-5-14)26(25-16)13-18(19(21,22)23)8-2-3-9-18/h4-7,10,24H,2-3,8-9,11-13H2,1H3
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19n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322103
PNG
(1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1
Show InChI InChI=1S/C19H27N3O/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3
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19n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322127
PNG
(US10183913, Example 458)
Show SMILES CNC(C)c1cc(OCc2cc(F)ccc2C)n(CCC(C)C)n1
Show InChI InChI=1S/C19H28FN3O/c1-13(2)8-9-23-19(11-18(22-23)15(4)21-5)24-12-16-10-17(20)7-6-14(16)3/h6-7,10-11,13,15,21H,8-9,12H2,1-5H3
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21n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322132
PNG
(1-{5-[(2,5-Difluorobenzyl)oxy]-1-(3-fluoro-3-methy...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1
Show InChI InChI=1S/C17H22F3N3O/c1-17(2,20)6-7-23-16(9-14(22-23)10-21-3)24-11-12-8-13(18)4-5-15(12)19/h4-5,8-9,21H,6-7,10-11H2,1-3H3
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22n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322098
PNG
(1-{5-[(5-chloro-2-fluorobenzyl)oxy]-1-(3-methoxy-3...)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)OC)n1
Show InChI InChI=1S/C18H25ClFN3O2/c1-18(2,24-4)7-8-23-17(10-15(22-23)11-21-3)25-12-13-9-14(19)5-6-16(13)20/h5-6,9-10,21H,7-8,11-12H2,1-4H3
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22n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322119
PNG
(US10183913, Example 405)
Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)OC)n1
Show InChI InChI=1S/C17H23ClFN3O2/c1-12(23-3)6-7-22-17(9-15(21-22)10-20-2)24-11-13-8-14(18)4-5-16(13)19/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3
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23n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322108
PNG
(1-{5-[(3-Chlorobenzyl)oxy]-1-(3,4-dihydro-2H-chrom...)
Show SMILES CNCc1cc(OCc2cccc(Cl)c2)n(CC2CCc3ccccc3O2)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-24-13-19-12-22(27-15-16-5-4-7-18(23)11-16)26(25-19)14-20-10-9-17-6-2-3-8-21(17)28-20/h2-8,11-12,20,24H,9-10,13-15H2,1H3
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23n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322070
PNG
(1-[1-Benzyl-5-(benzyloxy)-1H-pyrazol-3-yl]-N-methy...)
Show SMILES CNCc1cc(OCc2ccccc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C19H21N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3
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26n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322075
PNG
(US10183913, Example 42)
Show SMILES CNCc1cc(OCc2cccc(C)c2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H29N3O/c1-16-7-6-10-18(11-16)15-24-20-12-19(13-21-2)22-23(20)14-17-8-4-3-5-9-17/h6-7,10-12,17,21H,3-5,8-9,13-15H2,1-2H3
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31n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322092
PNG
(US10183913, Example 253)
Show SMILES CCC(CC)n1nc(CNC)cc1OCc1ccc(F)cc1Cl
Show InChI InChI=1S/C17H23ClFN3O/c1-4-15(5-2)22-17(9-14(21-22)10-20-3)23-11-12-6-7-13(19)8-16(12)18/h6-9,15,20H,4-5,10-11H2,1-3H3
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31n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322111
PNG
(1-{1-(Cyclopentylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES Fc1ccc(F)c(COc2cc(CN=[N+]=[N-])nn2CC2CCCC2)c1
Show InChI InChI=1S/C17H19F2N5O/c18-14-5-6-16(19)13(7-14)11-25-17-8-15(9-21-23-20)22-24(17)10-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2
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31n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322115
PNG
(1-[1-Benzyl-5-(benzylsulfanyl)-1H-pyrazol-3-yl]-N-...)
Show SMILES CN(Cc1cc(SCc2ccccc2)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H29N3O2S/c1-24(2,3)29-23(28)26(4)17-21-15-22(30-18-20-13-9-6-10-14-20)27(25-21)16-19-11-7-5-8-12-19/h5-15H,16-18H2,1-4H3
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32n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322110
PNG
(N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...)
Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3
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33n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322090
PNG
(US10183913, Example 242)
Show SMILES CCCCn1nc(CNC)cc1OCc1cc(F)ccc1F
Show InChI InChI=1S/C16H21F2N3O/c1-3-4-7-21-16(9-14(20-21)10-19-2)22-11-12-8-13(17)5-6-15(12)18/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3
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34n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322114
PNG
(1-{1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)oxy...)
Show SMILES CN(Cc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H32F3N3O3/c1-24(2,3)33-23(31)29(4)14-20-21(27)22(30(28-20)13-16-8-6-5-7-9-16)32-15-17-12-18(25)10-11-19(17)26/h10-12,16H,5-9,13-15H2,1-4H3
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43n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322113
PNG
(1-{5-[1-(3-Chlorophenyl)ethoxy]-1-(cyclohexylmethy...)
Show SMILES CNCc1cc(OC(C)c2cccc(Cl)c2)n(CC2CCCCC2)n1
Show InChI InChI=1S/C20H28ClN3O/c1-15(17-9-6-10-18(21)11-17)25-20-12-19(13-22-2)23-24(20)14-16-7-4-3-5-8-16/h6,9-12,15-16,22H,3-5,7-8,13-14H2,1-2H3
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53n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322116
PNG
(N-Benzyl-1-(cyclohexylmethyl)-3-[(methyl]-1H-pyraz...)
Show SMILES CN(Cc1cc(NC(=O)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H34N4O3/c1-24(2,3)31-23(30)27(4)17-20-15-21(25-22(29)19-13-9-6-10-14-19)28(26-20)16-18-11-7-5-8-12-18/h6,9-10,13-15,18H,5,7-8,11-12,16-17H2,1-4H3,(H,25,29)
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74n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322105
PNG
(2-{5-(Benzyloxy)-3-[(methylamino)methyl]-1H-pyrazo...)
Show SMILES CN(Cc1cc(OCc2ccccc2)n(n1)C(CO)C1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H37N3O4/c1-25(2,3)32-24(30)27(4)16-21-15-23(31-18-19-11-7-5-8-12-19)28(26-21)22(17-29)20-13-9-6-10-14-20/h5,7-8,11-12,15,20,22,29H,6,9-10,13-14,16-18H2,1-4H3
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193n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%