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Patent code US9206167

Compile Data Set for Download or QSAR
Found 122 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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194790
PNG
(US9206167, 11 | US9206167, 12 | USRE48059, Compoun...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)
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 0.100 -57.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194790
PNG
(US9206167, 11 | US9206167, 12 | USRE48059, Compoun...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)
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 0.100 -57.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
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 0.200 -55.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194772
PNG
(US9206167, 139)
Show SMILES OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C25H29N3O3S/c29-17-19-15-18-5-6-25(30)26-21(18)16-23(19)31-13-2-8-27-9-11-28(12-10-27)22-3-1-4-24-20(22)7-14-32-24/h1,3-4,7,14-16,29H,2,5-6,8-13,17H2,(H,26,30)
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 0.200 -55.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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 0.200 -55.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194789
PNG
(US9206167, 10 | USRE48059, Compound of Example 10)
Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C24H27N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-5,7,9,16-17H,2,6,8,10-15H2,(H,25,28)
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 0.400 -53.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194764
PNG
(US9206167, 90)
Show SMILES CC(=O)N1CCc2ccc(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1
Show InChI InChI=1S/C28H35N3O2S/c1-22(32)31-12-9-24-8-7-23(19-25(24)20-31)21-33-17-3-2-11-29-13-15-30(16-14-29)27-5-4-6-28-26(27)10-18-34-28/h4-8,10,18-19H,2-3,9,11-17,20-21H2,1H3
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 0.400 -53.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194782
PNG
(US9206167, 3 | USRE48059, Compound of Example 3)
Show SMILES Cc1cc(=O)[nH]c2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C25H27N3O2S/c1-18-16-25(29)26-22-17-19(6-7-20(18)22)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)
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 0.5 -53.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194783
PNG
(US9206167, 4 | USRE48059, Compound of Example 4)
Show SMILES Cc1cc(=O)[nH]c2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
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 0.5 -53.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194786
PNG
(US9206167, 7 | USRE48059, Compound of Example 7)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C24H25N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 0.5 -53.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194787
PNG
(US9206167, 8 | USRE48059, Compound of Example 8)
Show SMILES O=c1ccc2ccccc2n1CCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C25H27N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-12,19H,3-4,13-18H2
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 0.600 -54.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194784
PNG
(US9206167, 5 | USRE48059, Compound of Example 5)
Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-18-16-19-6-7-20(17-22(19)26-25(18)29)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)
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 0.600 -52.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194795
PNG
(US9206167, 16 | USRE48059, Compound of Example 16)
Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)
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 0.700 -52.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194802
PNG
(US9206167, 23 | USRE48059, Compound of Example 23)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12
Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2
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 0.700 -52.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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 0.700 -52.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194756
PNG
(US9206167, 69)
Show SMILES CC1CN(CCN1CCCCOc1ccc2ccc(=O)[nH]c2c1)c1cccc2sccc12
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 0.800 -51.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194785
PNG
(US9206167, 6 | USRE48059, Compound of Example 6)
Show SMILES Cc1cc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O
Show InChI InChI=1S/C26H29N3O2S/c1-19-17-20-7-8-21(18-23(20)27-26(19)30)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
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 0.800 -51.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194779
PNG
(US9206167, 190)
Show SMILES Oc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12
Show InChI InChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29)
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 0.800 -51.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194760
PNG
(US9206167, 81)
Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1
Show InChI InChI=1S/C26H31N3O2S/c1-20(30)29-11-8-21-6-7-23(18-22(21)19-29)31-16-3-10-27-12-14-28(15-13-27)25-4-2-5-26-24(25)9-17-32-26/h2,4-7,9,17-18H,3,8,10-16,19H2,1H3
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 0.800 -51.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194800
PNG
(US9206167, 21 | USRE48059, Compound of Example 21)
Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C25H29N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-9,12,19H,3-4,10-11,13-18H2
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 1 -53.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194814
PNG
(US9206167, 36 | USRE48059, Compound of Example 36)
Show SMILES Cn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3
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 1 -51.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194755
PNG
(US9206167, 68)
Show SMILES CC1CN(CCN1CCCCOc1ccc2CCC(=O)Nc2c1)c1cccc2sccc12
Show InChI InChI=1S/C26H31N3O2S/c1-19-18-29(24-5-4-6-25-22(24)11-16-32-25)14-13-28(19)12-2-3-15-31-21-9-7-20-8-10-26(30)27-23(20)17-21/h4-7,9,11,16-17,19H,2-3,8,10,12-15,18H2,1H3,(H,27,30)
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 1 -51.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194811
PNG
(US9206167, 33 | USRE48059, Compound of Example 33)
Show SMILES O=C1NCCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C25H29N3O2S/c29-25-22-18-20(7-6-19(22)8-10-26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)9-17-31-24/h3-7,9,17-18H,1-2,8,10-16H2,(H,26,29)
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 1.10 -51.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194798
PNG
(US9206167, 19 | USRE48059, Compound of Example 19)
Show SMILES O=C1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C24H27N3O2S/c28-24-8-5-18-17-19(6-7-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-4,6-7,9,16-17H,2,5,8,10-15H2,(H,25,28)
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 1.20 -53.0n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194807
PNG
(US10501452, Compound C | US9206167, 28 | USRE48059...)
Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)
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 1.20 -50.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194798
PNG
(US9206167, 19 | USRE48059, Compound of Example 19)
Show SMILES O=C1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C24H27N3O2S/c28-24-8-5-18-17-19(6-7-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-4,6-7,9,16-17H,2,5,8,10-15H2,(H,25,28)
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 1.20 -50.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194816
PNG
(US9206167, 38 | USRE48059, Compound of Example 38)
Show SMILES COc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1
Show InChI InChI=1S/C26H29N3O2S/c1-31-21-8-7-20-9-13-29(26(30)23(20)19-21)12-3-2-11-27-14-16-28(17-15-27)24-5-4-6-25-22(24)10-18-32-25/h4-10,13,18-19H,2-3,11-12,14-17H2,1H3
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194817
PNG
(US9206167, 39 | USRE48059, Compound of Example 39)
Show SMILES Oc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1
Show InChI InChI=1S/C25H27N3O2S/c29-20-7-6-19-8-12-28(25(30)22(19)18-20)11-2-1-10-26-13-15-27(16-14-26)23-4-3-5-24-21(23)9-17-31-24/h3-9,12,17-18,29H,1-2,10-11,13-16H2
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 1.20 -50.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194812
PNG
(US9206167, 34 | USRE48059, Compound of Example 34)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)ccc2ccccc12
Show InChI InChI=1S/C25H27N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-11,14,19H,3-4,12-13,15-18H2
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 1.20 -50.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194771
PNG
(US9206167, 128)
Show SMILES CC(=O)Oc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12
Show InChI InChI=1S/C26H29N3O4S/c1-18(30)33-22-7-8-23(26-20(22)6-9-25(31)27-26)32-16-3-11-28-12-14-29(15-13-28)21-4-2-5-24-19(21)10-17-34-24/h2,4-5,7-8,10,17H,3,6,9,11-16H2,1H3,(H,27,31)
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 1.30 -50.7n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194757
PNG
(US9206167, 73)
Show SMILES C(COc1cccc2cccnc12)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25N3OS/c1-5-19-6-3-11-25-24(19)22(8-1)28-17-4-12-26-13-15-27(16-14-26)21-7-2-9-23-20(21)10-18-29-23/h1-3,5-11,18H,4,12-17H2
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 1.30 -52.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194768
PNG
(US9206167, 117)
Show SMILES Cc1cccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)c(=O)[nH]c12
Show InChI InChI=1S/C25H27N3O2S/c1-18-5-2-6-19-17-22(25(29)26-24(18)19)30-15-4-10-27-11-13-28(14-12-27)21-7-3-8-23-20(21)9-16-31-23/h2-3,5-9,16-17H,4,10-15H2,1H3,(H,26,29)
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 1.30 -52.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194809
PNG
(US9206167, 31 | USRE48059, Compound of Example 31)
Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194765
PNG
(US9206167, 91)
Show SMILES Fc1cc2CCNC(=O)c2cc1COCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H30FN3O2S/c27-23-17-19-6-8-28-26(31)22(19)16-20(23)18-32-14-2-1-9-29-10-12-30(13-11-29)24-4-3-5-25-21(24)7-15-33-25/h3-5,7,15-17H,1-2,6,8-14,18H2,(H,28,31)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194759
PNG
(US9206167, 80)
Show SMILES C(COc1ccc2CCNCc2c1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H29N3OS/c1-3-23(22-8-16-29-24(22)4-1)27-13-11-26(12-14-27)10-2-15-28-21-6-5-19-7-9-25-18-20(19)17-21/h1,3-6,8,16-17,25H,2,7,9-15,18H2
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 1.5 -50.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194812
PNG
(US9206167, 34 | USRE48059, Compound of Example 34)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)ccc2ccccc12
Show InChI InChI=1S/C25H27N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-11,14,19H,3-4,12-13,15-18H2
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 1.5 -52.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194781
PNG
(US9206167, 2 | USRE48059, Compound of Example 2)
Show SMILES O=c1[nH]c2ccccc2cc1OCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194799
PNG
(US9206167, 20 | USRE48059, Compound of Example 20)
Show SMILES O=C1CCc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-6-19-18-20(7-8-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-5,7-8,10,17-18H,1-2,6,9,11-16H2,(H,26,29)
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194810
PNG
(US9206167, 32 | USRE48059, Compound of Example 32)
Show SMILES CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-27-12-9-20-7-8-21(19-23(20)26(27)30)31-17-3-2-11-28-13-15-29(16-14-28)24-5-4-6-25-22(24)10-18-32-25/h4-8,10,18-19H,2-3,9,11-17H2,1H3
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194778
PNG
(US9206167, 188)
Show SMILES O=c1ccc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-11,18H,1-2,12-17H2,(H,26,29)
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 1.60 -50.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194813
PNG
(US9206167, 35 | USRE48059, Compound of Example 35)
Show SMILES O=c1[nH]ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C24H25N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 1.60 -50.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194802
PNG
(US9206167, 23 | USRE48059, Compound of Example 23)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12
Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2
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 1.70 -52.1n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194766
PNG
(US9206167, 92)
Show SMILES CN1CCc2cc(F)c(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C27H32FN3O2S/c1-29-10-7-20-18-24(28)21(17-23(20)27(29)32)19-33-15-3-2-9-30-11-13-31(14-12-30)25-5-4-6-26-22(25)8-16-34-26/h4-6,8,16-18H,2-3,7,9-15,19H2,1H3
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 1.70 -50.1n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194819
PNG
(US9206167, 41 | USRE48059, Compound of Example 41)
Show SMILES Cn1ccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-18-20(6-7-21(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-22(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3
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 1.90 -49.8n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194815
PNG
(US9206167, 37 | USRE48059, Compound of Example 37)
Show SMILES CCn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O
Show InChI InChI=1S/C26H29N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-10,12,18-19H,2,4,11,13-17H2,1H3
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 1.90 -49.8n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194761
PNG
(US9206167, 85)
Show SMILES C(CCN1CCN(CC1)c1cccc2sccc12)COc1ccc2cccnc2c1
Show InChI InChI=1S/C25H27N3OS/c1(2-17-29-21-9-8-20-5-4-11-26-23(20)19-21)12-27-13-15-28(16-14-27)24-6-3-7-25-22(24)10-18-30-25/h3-11,18-19H,1-2,12-17H2
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 2 -49.7n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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 2 -51.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194790
PNG
(US9206167, 11 | US9206167, 12 | USRE48059, Compoun...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)
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 2.10 -51.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194814
PNG
(US9206167, 36 | USRE48059, Compound of Example 36)
Show SMILES Cn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3
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 2.10 -51.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194817
PNG
(US9206167, 39 | USRE48059, Compound of Example 39)
Show SMILES Oc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1
Show InChI InChI=1S/C25H27N3O2S/c29-20-7-6-19-8-12-28(25(30)22(19)18-20)11-2-1-10-26-13-15-27(16-14-26)23-4-3-5-24-21(23)9-17-31-24/h3-9,12,17-18,29H,1-2,10-11,13-16H2
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 2.10 -51.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194813
PNG
(US9206167, 35 | USRE48059, Compound of Example 35)
Show SMILES O=c1[nH]ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C24H25N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 2.10 -51.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194796
PNG
(US9206167, 17 | USRE48059, Compound of Example 17)
Show SMILES O=C1CCc2ccc(OCCOCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O3S/c29-25-7-5-19-4-6-20(18-22(19)26-25)31-16-15-30-14-13-27-9-11-28(12-10-27)23-2-1-3-24-21(23)8-17-32-24/h1-4,6,8,17-18H,5,7,9-16H2,(H,26,29)
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 2.20 -49.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194782
PNG
(US9206167, 3 | USRE48059, Compound of Example 3)
Show SMILES Cc1cc(=O)[nH]c2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C25H27N3O2S/c1-18-16-25(29)26-22-17-19(6-7-20(18)22)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)
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 2.30 -51.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194773
PNG
(US9206167, 155)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2CCC(=O)Nc12
Show InChI InChI=1S/C26H30N4O3S/c1-18(31)27-21-7-8-23(20-6-9-25(32)28-26(20)21)33-16-3-11-29-12-14-30(15-13-29)22-4-2-5-24-19(22)10-17-34-24/h2,4-5,7-8,10,17H,3,6,9,11-16H2,1H3,(H,27,31)(H,28,32)
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 2.30 -49.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194803
PNG
(US9206167, 24 | USRE48059, Compound of Example 24)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12
Show InChI InChI=1S/C26H31N3OS/c30-26-22-8-3-2-7-21(22)11-15-29(26)14-5-1-4-13-27-16-18-28(19-17-27)24-9-6-10-25-23(24)12-20-31-25/h2-3,6-10,12,20H,1,4-5,11,13-19H2
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 2.30 -51.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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 2.30 -51.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194777
PNG
(US9206167, 186)
Show SMILES O=C1CCc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2N1
Show InChI InChI=1S/C25H29N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-8,11,18H,1-2,9-10,12-17H2,(H,26,29)
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 2.30 -49.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194792
PNG
(US9206167, 13 | USRE48059, Compound of Example 13)
Show SMILES O=C1CCc2ccc(OC\C=C/CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1-
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 2.40 -49.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194762
PNG
(US9206167, 84)
Show SMILES C(COc1ccc2cccnc2c1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25N3OS/c1-5-23(21-9-17-29-24(21)6-1)27-14-12-26(13-15-27)11-3-16-28-20-8-7-19-4-2-10-25-22(19)18-20/h1-2,4-10,17-18H,3,11-16H2
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 2.40 -49.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194759
PNG
(US9206167, 80)
Show SMILES C(COc1ccc2CCNCc2c1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H29N3OS/c1-3-23(22-8-16-29-24(22)4-1)27-13-11-26(12-14-27)10-2-15-28-21-6-5-19-7-9-25-18-20(19)17-21/h1,3-6,8,16-17,25H,2,7,9-15,18H2
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 2.5 -51.1n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194760
PNG
(US9206167, 81)
Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1
Show InChI InChI=1S/C26H31N3O2S/c1-20(30)29-11-8-21-6-7-23(18-22(21)19-29)31-16-3-10-27-12-14-28(15-13-27)25-4-2-5-26-24(25)9-17-32-26/h2,4-7,9,17-18H,3,8,10-16,19H2,1H3
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 2.60 -51.0n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194797
PNG
(US9206167, 18 | USRE48059, Compound of Example 18)
Show SMILES CN1C(=O)CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-27-24-19-21(9-7-20(24)8-10-26(27)30)31-17-3-2-12-28-13-15-29(16-14-28)23-5-4-6-25-22(23)11-18-32-25/h4-7,9,11,18-19H,2-3,8,10,12-17H2,1H3
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 2.60 -49.0n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194788
PNG
(US9206167, 9 | USRE48059, Compound of Example 9)
Show SMILES O=c1ccc2ccccc2n1CCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H29N3OS/c30-26-12-11-21-7-2-3-8-23(21)29(26)15-5-1-4-14-27-16-18-28(19-17-27)24-9-6-10-25-22(24)13-20-31-25/h2-3,6-13,20H,1,4-5,14-19H2
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 2.60 -51.0n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194775
PNG
(US9206167, 184 | USRE48059, Compound of Example 11...)
Show SMILES Fc1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)cc2ccc(=O)[nH]c12
Show InChI InChI=1S/C25H26FN3O2S/c26-21-17-19(16-18-6-7-24(30)27-25(18)21)31-14-2-1-9-28-10-12-29(13-11-28)22-4-3-5-23-20(22)8-15-32-23/h3-8,15-17H,1-2,9-14H2,(H,27,30)
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 2.60 -49.0n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194776
PNG
(US9206167, 185)
Show SMILES Cc1cc(=O)[nH]c2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-8-7-20(18-22(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-21(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
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 2.70 -48.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194796
PNG
(US9206167, 17 | USRE48059, Compound of Example 17)
Show SMILES O=C1CCc2ccc(OCCOCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O3S/c29-25-7-5-19-4-6-20(18-22(19)26-25)31-16-15-30-14-13-27-9-11-28(12-10-27)23-2-1-3-24-21(23)8-17-32-24/h1-4,6,8,17-18H,5,7,9-16H2,(H,26,29)
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 2.80 -50.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194774
PNG
(US9206167, 163)
Show SMILES Clc1cc2CCC(=O)Nc2c(Cl)c1OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25Cl2N3O2S/c25-18-15-16-5-6-21(30)27-23(16)22(26)24(18)31-13-2-8-28-9-11-29(12-10-28)19-3-1-4-20-17(19)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13H2,(H,27,30)
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 2.80 -48.8n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194807
PNG
(US10501452, Compound C | US9206167, 28 | USRE48059...)
Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)
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 2.80 -50.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194770
PNG
(US9206167, 122)
Show SMILES O=C1CCc2c(N1)cccc2OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H27N3O2S/c28-24-9-8-18-20(25-24)4-1-6-22(18)29-16-3-11-26-12-14-27(15-13-26)21-5-2-7-23-19(21)10-17-30-23/h1-2,4-7,10,17H,3,8-9,11-16H2,(H,25,28)
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 2.90 -50.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194801
PNG
(US9206167, 22 | USRE48059, Compound of Example 22)
Show SMILES O=C1CCc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H31N3OS/c30-26-12-11-21-7-2-3-8-23(21)29(26)15-5-1-4-14-27-16-18-28(19-17-27)24-9-6-10-25-22(24)13-20-31-25/h2-3,6-10,13,20H,1,4-5,11-12,14-19H2
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 2.90 -50.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194779
PNG
(US9206167, 190)
Show SMILES Oc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12
Show InChI InChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29)
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 2.90 -50.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194789
PNG
(US9206167, 10 | USRE48059, Compound of Example 10)
Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C24H27N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-5,7,9,16-17H,2,6,8,10-15H2,(H,25,28)
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 3 -50.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194773
PNG
(US9206167, 155)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2CCC(=O)Nc12
Show InChI InChI=1S/C26H30N4O3S/c1-18(31)27-21-7-8-23(20-6-9-25(32)28-26(20)21)33-16-3-11-29-12-14-30(15-13-29)22-4-2-5-24-19(22)10-17-34-24/h2,4-5,7-8,10,17H,3,6,9,11-16H2,1H3,(H,27,31)(H,28,32)
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 3 -50.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194763
PNG
(US9206167, 89)
Show SMILES C(CCN1CCN(CC1)c1cccc2sccc12)COCc1ccc2CCNCc2c1
Show InChI InChI=1S/C26H33N3OS/c1(2-16-30-20-21-6-7-22-8-10-27-19-23(22)18-21)11-28-12-14-29(15-13-28)25-4-3-5-26-24(25)9-17-31-26/h3-7,9,17-18,27H,1-2,8,10-16,19-20H2
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 3.10 -50.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194815
PNG
(US9206167, 37 | USRE48059, Compound of Example 37)
Show SMILES CCn1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c1=O
Show InChI InChI=1S/C26H29N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-10,12,18-19H,2,4,11,13-17H2,1H3
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 3.10 -50.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194754
PNG
(US9206167, 64)
Show SMILES CC1CN(CCCOc2ccc3CCC(=O)Nc3c2)CCN1c1cccc2sccc12
Show InChI InChI=1S/C25H29N3O2S/c1-18-17-27(12-13-28(18)23-4-2-5-24-21(23)10-15-31-24)11-3-14-30-20-8-6-19-7-9-25(29)26-22(19)16-20/h2,4-6,8,10,15-16,18H,3,7,9,11-14,17H2,1H3,(H,26,29)
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 3.20 -48.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194793
PNG
(US9206167, 14 | USRE48059, Compound of Example 14)
Show SMILES CC(CCOc1ccc2CCC(=O)Nc2c1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H31N3O2S/c1-19(9-15-31-21-7-5-20-6-8-26(30)27-23(20)17-21)18-28-11-13-29(14-12-28)24-3-2-4-25-22(24)10-16-32-25/h2-5,7,10,16-17,19H,6,8-9,11-15,18H2,1H3,(H,27,30)
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 3.20 -48.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194819
PNG
(US9206167, 41 | USRE48059, Compound of Example 41)
Show SMILES Cn1ccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-26-11-8-19-18-20(6-7-21(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-22(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3
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 3.20 -50.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
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 3.30 -50.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194762
PNG
(US9206167, 84)
Show SMILES C(COc1ccc2cccnc2c1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25N3OS/c1-5-23(21-9-17-29-24(21)6-1)27-14-12-26(13-15-27)11-3-16-28-20-8-7-19-4-2-10-25-22(19)18-20/h1-2,4-10,17-18H,3,11-16H2
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OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194799
PNG
(US9206167, 20 | USRE48059, Compound of Example 20)
Show SMILES O=C1CCc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-6-19-18-20(7-8-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-5,7-8,10,17-18H,1-2,6,9,11-16H2,(H,26,29)
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 3.30 -50.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194770
PNG
(US9206167, 122)
Show SMILES O=C1CCc2c(N1)cccc2OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H27N3O2S/c28-24-9-8-18-20(25-24)4-1-6-22(18)29-16-3-11-26-12-14-27(15-13-26)21-5-2-7-23-19(21)10-17-30-23/h1-2,4-7,10,17H,3,8-9,11-16H2,(H,25,28)
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 3.30 -48.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194769
PNG
(US9206167, 118)
Show SMILES Fc1cc(OCCCN2CCN(CC2)c2cccc3sccc23)cc2ccc(=O)[nH]c12
Show InChI InChI=1S/C24H24FN3O2S/c25-20-16-18(15-17-5-6-23(29)26-24(17)20)30-13-2-8-27-9-11-28(12-10-27)21-3-1-4-22-19(21)7-14-31-22/h1,3-7,14-16H,2,8-13H2,(H,26,29)
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 3.40 -50.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194769
PNG
(US9206167, 118)
Show SMILES Fc1cc(OCCCN2CCN(CC2)c2cccc3sccc23)cc2ccc(=O)[nH]c12
Show InChI InChI=1S/C24H24FN3O2S/c25-20-16-18(15-17-5-6-23(29)26-24(17)20)30-13-2-8-27-9-11-28(12-10-27)21-3-1-4-22-19(21)7-14-31-22/h1,3-7,14-16H,2,8-13H2,(H,26,29)
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 3.5 -48.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194805
PNG
(US9206167, 26 | USRE48059, Compound of Example 26)
Show SMILES CN1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-18-20(6-7-21(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-22(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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 3.5 -48.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194757
PNG
(US9206167, 73)
Show SMILES C(COc1cccc2cccnc12)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25N3OS/c1-5-19-6-3-11-25-24(19)22(8-1)28-17-4-12-26-13-15-27(16-14-26)21-7-2-9-23-20(21)10-18-29-23/h1-3,5-11,18H,4,12-17H2
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 4 -47.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194772
PNG
(US9206167, 139)
Show SMILES OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C25H29N3O3S/c29-17-19-15-18-5-6-25(30)26-21(18)16-23(19)31-13-2-8-27-9-11-28(12-10-27)22-3-1-4-24-20(22)7-14-32-24/h1,3-4,7,14-16,29H,2,5-6,8-13,17H2,(H,26,30)
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 4 -49.9n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194786
PNG
(US9206167, 7 | USRE48059, Compound of Example 7)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C24H25N3O2S/c28-24-8-6-18-5-7-19(17-21(18)25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)9-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 4 -49.9n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194801
PNG
(US9206167, 22 | USRE48059, Compound of Example 22)
Show SMILES O=C1CCc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H31N3OS/c30-26-12-11-21-7-2-3-8-23(21)29(26)15-5-1-4-14-27-16-18-28(19-17-27)24-9-6-10-25-22(24)13-20-31-25/h2-3,6-10,13,20H,1,4-5,11-12,14-19H2
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 4 -47.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194806
PNG
(US9206167, 27 | USRE48059, Compound of Example 27)
Show SMILES CCN1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-19-21(7-8-22(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-23(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3
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 4.10 -49.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194767
PNG
(US9206167, 116)
Show SMILES Fc1cc(OCCCN2CCN(CC2)c2cccc3sccc23)cc2CCC(=O)Nc12
Show InChI InChI=1S/C24H26FN3O2S/c25-20-16-18(15-17-5-6-23(29)26-24(17)20)30-13-2-8-27-9-11-28(12-10-27)21-3-1-4-22-19(21)7-14-31-22/h1,3-4,7,14-16H,2,5-6,8-13H2,(H,26,29)
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 4.20 -49.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194775
PNG
(US9206167, 184 | USRE48059, Compound of Example 11...)
Show SMILES Fc1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)cc2ccc(=O)[nH]c12
Show InChI InChI=1S/C25H26FN3O2S/c26-21-17-19(16-18-6-7-24(30)27-25(18)21)31-14-2-1-9-28-10-12-29(13-11-28)22-4-3-5-23-20(22)8-15-32-23/h3-8,15-17H,1-2,9-14H2,(H,27,30)
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 4.30 -49.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194805
PNG
(US9206167, 26 | USRE48059, Compound of Example 26)
Show SMILES CN1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-18-20(6-7-21(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-22(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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 4.40 -49.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194767
PNG
(US9206167, 116)
Show SMILES Fc1cc(OCCCN2CCN(CC2)c2cccc3sccc23)cc2CCC(=O)Nc12
Show InChI InChI=1S/C24H26FN3O2S/c25-20-16-18(15-17-5-6-23(29)26-24(17)20)30-13-2-8-27-9-11-28(12-10-27)21-3-1-4-22-19(21)7-14-31-22/h1,3-4,7,14-16H,2,5-6,8-13H2,(H,26,29)
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 4.5 -47.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194809
PNG
(US9206167, 31 | USRE48059, Compound of Example 31)
Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3
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 4.5 -49.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194804
PNG
(US9206167, 25 | USRE48059, Compound of Example 25)
Show SMILES O=C1NCCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C24H27N3O2S/c28-24-20-6-5-19(17-18(20)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-21(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)
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 4.60 -49.5n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194768
PNG
(US9206167, 117)
Show SMILES Cc1cccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)c(=O)[nH]c12
Show InChI InChI=1S/C25H27N3O2S/c1-18-5-2-6-19-17-22(25(29)26-24(18)19)30-15-4-10-27-11-13-28(14-12-27)21-7-3-8-23-20(21)9-16-31-23/h2-3,5-9,16-17H,4,10-15H2,1H3,(H,26,29)
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 4.70 -47.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194758
PNG
(US9206167, 79)
Show SMILES CC(=O)N1CCCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H31N3O2S/c1-20(30)29-12-3-5-21-19-22(8-9-24(21)29)31-17-4-11-27-13-15-28(16-14-27)25-6-2-7-26-23(25)10-18-32-26/h2,6-10,18-19H,3-5,11-17H2,1H3
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 4.70 -47.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194818
PNG
(US9206167, 40 | USRE48059, Compound of Example 40)
Show SMILES O=c1[nH]ccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C24H25N3O2S/c28-24-20-6-5-19(17-18(20)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-21(22)8-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 4.80 -47.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194806
PNG
(US9206167, 27 | USRE48059, Compound of Example 27)
Show SMILES CCN1CCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-19-21(7-8-22(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-23(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3
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 4.90 -47.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194783
PNG
(US9206167, 4 | USRE48059, Compound of Example 4)
Show SMILES Cc1cc(=O)[nH]c2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
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 4.90 -49.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194776
PNG
(US9206167, 185)
Show SMILES Cc1cc(=O)[nH]c2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C26H29N3O2S/c1-19-17-26(30)27-23-8-7-20(18-22(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-21(24)9-16-32-25/h4-9,16-18H,2-3,10-15H2,1H3,(H,27,30)
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 5 -49.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM194803
PNG
(US9206167, 24 | USRE48059, Compound of Example 24)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12
Show InChI InChI=1S/C26H31N3OS/c30-26-22-8-3-2-7-21(22)11-15-29(26)14-5-1-4-13-27-16-18-28(19-17-27)24-9-6-10-25-23(24)12-20-31-25/h2-3,6-10,12,20H,1,4-5,11,13-19H2
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 5 -47.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194818
PNG
(US9206167, 40 | USRE48059, Compound of Example 40)
Show SMILES O=c1[nH]ccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C24H25N3O2S/c28-24-20-6-5-19(17-18(20)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-21(22)8-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)
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 5.10 -49.2n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194764
PNG
(US9206167, 90)
Show SMILES CC(=O)N1CCc2ccc(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1
Show InChI InChI=1S/C28H35N3O2S/c1-22(32)31-12-9-24-8-7-23(19-25(24)20-31)21-33-17-3-2-11-29-13-15-30(16-14-29)27-5-4-6-28-26(27)10-18-34-28/h4-8,10,18-19H,2-3,9,11-17,20-21H2,1H3
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 5.30 -49.1n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194758
PNG
(US9206167, 79)
Show SMILES CC(=O)N1CCCc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H31N3O2S/c1-20(30)29-12-3-5-21-19-22(8-9-24(21)29)31-17-4-11-27-13-15-28(16-14-27)25-6-2-7-26-23(25)10-18-32-26/h2,6-10,18-19H,3-5,11-17H2,1H3
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 5.5 -49.0n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194790
PNG
(US9206167, 11 | US9206167, 12 | USRE48059, Compoun...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-6,8,10,17-18H,1-2,7,9,11-16H2,(H,26,29)
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 5.70 -48.9n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194766
PNG
(US9206167, 92)
Show SMILES CN1CCc2cc(F)c(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C27H32FN3O2S/c1-29-10-7-20-18-24(28)21(17-23(20)27(29)32)19-33-15-3-2-9-30-11-13-31(14-12-30)25-5-4-6-26-22(25)8-16-34-26/h4-6,8,16-18H,2-3,7,9-15,19H2,1H3
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 5.70 -48.9n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194756
PNG
(US9206167, 69)
Show SMILES CC1CN(CCN1CCCCOc1ccc2ccc(=O)[nH]c2c1)c1cccc2sccc12
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 6.10 -48.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194778
PNG
(US9206167, 188)
Show SMILES O=c1ccc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-11,18H,1-2,12-17H2,(H,26,29)
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 6.30 -48.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194771
PNG
(US9206167, 128)
Show SMILES CC(=O)Oc1ccc(OCCCN2CCN(CC2)c2cccc3sccc23)c2NC(=O)CCc12
Show InChI InChI=1S/C26H29N3O4S/c1-18(30)33-22-7-8-23(26-20(22)6-9-25(31)27-26)32-16-3-11-28-12-14-29(15-13-28)21-4-2-5-24-19(21)10-17-34-24/h2,4-5,7-8,10,17H,3,6,9,11-16H2,1H3,(H,27,31)
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 6.30 -48.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194784
PNG
(US9206167, 5 | USRE48059, Compound of Example 5)
Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O
Show InChI InChI=1S/C25H27N3O2S/c1-18-16-19-6-7-20(17-22(19)26-25(18)29)30-14-3-9-27-10-12-28(13-11-27)23-4-2-5-24-21(23)8-15-31-24/h2,4-8,15-17H,3,9-14H2,1H3,(H,26,29)
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 6.40 -48.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194765
PNG
(US9206167, 91)
Show SMILES Fc1cc2CCNC(=O)c2cc1COCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H30FN3O2S/c27-23-17-19-6-8-28-26(31)22(19)16-20(23)18-32-14-2-1-9-29-10-12-30(13-11-29)24-4-3-5-25-21(24)7-15-33-25/h3-5,7,15-17H,1-2,6,8-14,18H2,(H,28,31)
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 6.5 -48.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194811
PNG
(US9206167, 33 | USRE48059, Compound of Example 33)
Show SMILES O=C1NCCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C25H29N3O2S/c29-25-22-18-20(7-6-19(22)8-10-26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)9-17-31-24/h3-7,9,17-18H,1-2,8,10-16H2,(H,26,29)
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 6.60 -48.6n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194795
PNG
(US9206167, 16 | USRE48059, Compound of Example 16)
Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12
Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)
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 7 -48.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194755
PNG
(US9206167, 68)
Show SMILES CC1CN(CCN1CCCCOc1ccc2CCC(=O)Nc2c1)c1cccc2sccc12
Show InChI InChI=1S/C26H31N3O2S/c1-19-18-29(24-5-4-6-25-22(24)11-16-32-25)14-13-28(19)12-2-3-15-31-21-9-7-20-8-10-26(30)27-23(20)17-21/h4-7,9,11,16-17,19H,2-3,8,10,12-15,18H2,1H3,(H,27,30)
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 7 -48.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194816
PNG
(US9206167, 38 | USRE48059, Compound of Example 38)
Show SMILES COc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1
Show InChI InChI=1S/C26H29N3O2S/c1-31-21-8-7-20-9-13-29(26(30)23(20)19-21)12-3-2-11-27-14-16-28(17-15-27)24-5-4-6-25-22(24)10-18-32-25/h4-10,13,18-19H,2-3,11-12,14-17H2,1H3
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 7.30 -48.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194774
PNG
(US9206167, 163)
Show SMILES Clc1cc2CCC(=O)Nc2c(Cl)c1OCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H25Cl2N3O2S/c25-18-15-16-5-6-21(30)27-23(16)22(26)24(18)31-13-2-8-28-9-11-29(12-10-28)19-3-1-4-20-17(19)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13H2,(H,27,30)
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 7.40 -48.3n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194797
PNG
(US9206167, 18 | USRE48059, Compound of Example 18)
Show SMILES CN1C(=O)CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-27-24-19-21(9-7-20(24)8-10-26(27)30)31-17-3-2-12-28-13-15-29(16-14-28)23-5-4-6-25-22(23)11-18-32-25/h4-7,9,11,18-19H,2-3,8,10,12-17H2,1H3
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 8 -48.1n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194754
PNG
(US9206167, 64)
Show SMILES CC1CN(CCCOc2ccc3CCC(=O)Nc3c2)CCN1c1cccc2sccc12
Show InChI InChI=1S/C25H29N3O2S/c1-18-17-27(12-13-28(18)23-4-2-5-24-21(23)10-15-31-24)11-3-14-30-20-8-6-19-7-9-25(29)26-22(19)16-20/h2,4-6,8,10,15-16,18H,3,7,9,11-14,17H2,1H3,(H,26,29)
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US Patent
 8.20 -48.0n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194810
PNG
(US9206167, 32 | USRE48059, Compound of Example 32)
Show SMILES CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C26H31N3O2S/c1-27-12-9-20-7-8-21(19-23(20)26(27)30)31-17-3-2-11-28-13-15-29(16-14-28)24-5-4-6-25-22(24)10-18-32-25/h4-8,10,18-19H,2-3,9,11-17H2,1H3
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PC cid
PC sid
UniChem
US Patent
 8.60 -47.9n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM194777
PNG
(US9206167, 186)
Show SMILES O=C1CCc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2N1
Show InChI InChI=1S/C25H29N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-8,11,18H,1-2,9-10,12-17H2,(H,26,29)
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PC sid
UniChem
US Patent
 8.80 -47.8n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...

US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%