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Compile Data Set for Download or QSAR

Found 307 hits Enz. Inhib. hit(s) with all data for entry = 1385   
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


(Homo sapiens (Human))		BDBM319696
PNG
(6-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
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n/an/a 0.0920n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319702
PNG
(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C21H21FN4OS/c22-20-13-15-18(2-1-3-19(15)28-20)26-10-8-25(9-11-26)7-6-14-4-5-16-17(12-14)24-21(27)23-16/h1-5,12-13H,6-11H2,(H2,23,24,27)
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n/an/a 0.219n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319695
PNG
(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
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n/an/a 0.242n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319701
PNG
(6-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C25H28FN3OS/c26-24-17-20-22(5-3-6-23(20)31-24)29-14-12-28(13-15-29)11-2-1-4-18-7-9-21-19(16-18)8-10-25(30)27-21/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,27,30)
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n/an/a 0.320n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319626
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C21H22N4OS/c26-21-22-17-5-4-15(14-18(17)23-21)6-8-24-9-11-25(12-10-24)19-2-1-3-20-16(19)7-13-27-20/h1-5,7,13-14H,6,8-12H2,(H2,22,23,26)
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n/an/a 0.384n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319692
PNG
(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H22FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-7,14-15H,8-13H2,(H,25,28)
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n/an/a 0.480n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319700
PNG
(6-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)buty...)
Show SMILES Fc1cc(CCCCN2CCN(CC2)c2cccc3sccc23)cc2NC(=O)COc12
Show InChI InChI=1S/C24H26FN3O2S/c25-19-14-17(15-20-24(19)30-16-23(29)26-20)4-1-2-8-27-9-11-28(12-10-27)21-5-3-6-22-18(21)7-13-31-22/h3,5-7,13-15H,1-2,4,8-12,16H2,(H,26,29)
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n/an/a 0.672n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319701
PNG
(6-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C25H28FN3OS/c26-24-17-20-22(5-3-6-23(20)31-24)29-14-12-28(13-15-29)11-2-1-4-18-7-9-21-19(16-18)8-10-25(30)27-21/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,27,30)
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n/an/a 1.06n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319704
PNG
(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
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n/an/a 1.20n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319719
PNG
(5-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C24H26FN3OS/c25-23-16-19-21(5-3-6-22(19)30-23)28-12-10-27(11-13-28)9-2-1-4-17-7-8-20-18(14-17)15-24(29)26-20/h3,5-8,14,16H,1-2,4,9-13,15H2,(H,26,29)
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n/an/a 1.30n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319751
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
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n/an/a 1.61n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319706
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=S1(=O)NCCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C22H25N3O2S2/c26-29(27)22-16-17(4-5-18(22)6-9-23-29)7-10-24-11-13-25(14-12-24)20-2-1-3-21-19(20)8-15-28-21/h1-5,8,15-16,23H,6-7,9-14H2
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n/an/a 1.67n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319610
PNG
((+)-3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 1.72n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319719
PNG
(5-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C24H26FN3OS/c25-23-16-19-21(5-3-6-22(19)30-23)28-12-10-27(11-13-28)9-2-1-4-17-7-8-20-18(14-17)15-24(29)26-20/h3,5-8,14,16H,1-2,4,9-13,15H2,(H,26,29)
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n/an/a 1.84n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319751
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
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n/an/a 2.01n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319616
PNG
(7-(5-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)pent...)
Show SMILES O=c1ccc2ccc(CCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C26H29N3OS/c30-26-11-10-21-9-8-20(19-23(21)27-26)5-2-1-3-13-28-14-16-29(17-15-28)24-6-4-7-25-22(24)12-18-31-25/h4,6-12,18-19H,1-3,5,13-17H2,(H,27,30)
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n/an/a 2.06n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319754
PNG
(7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)buty...)
Show SMILES O=C1CCc2ccc(CCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H29N3OS/c29-25-10-9-20-8-7-19(18-22(20)26-25)4-1-2-12-27-13-15-28(16-14-27)23-5-3-6-24-21(23)11-17-30-24/h3,5-8,11,17-18H,1-2,4,9-10,12-16H2,(H,26,29)
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n/an/a 2.16n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319621
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-5,9,15-16H,6-8,10-14H2,(H,24,27)
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n/an/a 2.23n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319608
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4OS/c1-17-18(23(28)27-10-3-2-7-22(27)24-17)8-11-25-12-14-26(15-13-25)20-5-4-6-21-19(20)9-16-29-21/h4-6,9,16H,2-3,7-8,10-15H2,1H3
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n/an/a 2.61n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319609
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319695
PNG
(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
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SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319613
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H27FN4OS/c1-16-17(23(29)28-9-3-4-19(24)22(28)25-16)7-10-26-11-13-27(14-12-26)20-5-2-6-21-18(20)8-15-30-21/h2,5-6,8,15,19H,3-4,7,9-14H2,1H3
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SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319615
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C23H23N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,9,15-16H,8,10-14H2,(H,24,27)
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n/an/a 3.39n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319611
PNG
((−)-3-(2-(4-(benzo[b]thiophen-4-yl)piperazin...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 3.46n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319627
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H26F2N4OS/c1-16-17(21(30)29-9-3-8-23(24,25)22(29)26-16)6-10-27-11-13-28(14-12-27)19-4-2-5-20-18(19)7-15-31-20/h2,4-5,7,15H,3,6,8-14H2,1H3
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n/an/a 3.51n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319740
PNG
(3-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sc(F)cc12
Show InChI InChI=1S/C23H27FN4O2S/c1-15-16(23(30)28-8-3-5-19(29)22(28)25-15)7-9-26-10-12-27(13-11-26)18-4-2-6-20-17(18)14-21(24)31-20/h2,4,6,14,19,29H,3,5,7-13H2,1H3
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n/an/a 3.53n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319750
PNG
(N-(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)e...)
Show SMILES CC(=O)Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Show InChI InChI=1S/C23H24N4OS2/c1-16(28)24-23-25-19-6-5-17(15-22(19)30-23)7-9-26-10-12-27(13-11-26)20-3-2-4-21-18(20)8-14-29-21/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,25,28)
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n/an/a 3.80n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319704
PNG
(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
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n/an/a 3.87n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319749
PNG
(7-(5-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)-1-h...)
Show SMILES OC(CCCCN1CCN(CC1)c1cccc2sccc12)c1ccc2CCC(=O)Nc2c1
Show InChI InChI=1S/C26H31N3O2S/c30-24(20-8-7-19-9-10-26(31)27-22(19)18-20)5-1-2-12-28-13-15-29(16-14-28)23-4-3-6-25-21(23)11-17-32-25/h3-4,6-8,11,17-18,24,30H,1-2,5,9-10,12-16H2,(H,27,31)
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n/an/a 4.54n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 4.67n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319736
PNG
(N-(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)e...)
Show SMILES CC(=O)Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
Show InChI InChI=1S/C23H24N4OS2/c1-16(28)24-23-25-19-5-2-4-17(22(19)30-23)8-10-26-11-13-27(14-12-26)20-6-3-7-21-18(20)9-15-29-21/h2-7,9,15H,8,10-14H2,1H3,(H,24,25,28)
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SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319698
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2o1
Show InChI InChI=1S/C21H21N3O2S/c25-21-22-17-5-4-15(14-19(17)26-21)6-8-23-9-11-24(12-10-23)18-2-1-3-20-16(18)7-13-27-20/h1-5,7,13-14H,6,8-12H2,(H,22,25)
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n/an/a 4.82n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319626
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C21H22N4OS/c26-21-22-17-5-4-15(14-18(17)23-21)6-8-24-9-11-25(12-10-24)19-2-1-3-20-16(19)7-13-27-20/h1-5,7,13-14H,6,8-12H2,(H2,22,23,26)
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n/an/a 4.91n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319718
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H29N3OS/c1-17-19(24(28)27-12-3-2-7-23(27)25-17)10-15-26-13-8-18(9-14-26)20-5-4-6-22-21(20)11-16-29-22/h4-6,11,16,18H,2-3,7-10,12-15H2,1H3
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n/an/a 5.12n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319710
PNG
(7-(2-(4-(6-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc(N2CCN(CCc3ccc4CCC(=O)Nc4c3)CC2)c2ccsc2c1
Show InChI InChI=1S/C23H24FN3OS/c24-18-14-21(19-6-12-29-22(19)15-18)27-10-8-26(9-11-27)7-5-16-1-2-17-3-4-23(28)25-20(17)13-16/h1-2,6,12-15H,3-5,7-11H2,(H,25,28)
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SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319609
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 5.43n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319698
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2o1
Show InChI InChI=1S/C21H21N3O2S/c25-21-22-17-5-4-15(14-19(17)26-21)6-8-23-9-11-24(12-10-23)18-2-1-3-20-16(18)7-13-27-20/h1-5,7,13-14H,6,8-12H2,(H,22,25)
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n/an/a 5.46n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319691
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C(Cl)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H27ClN4OS/c1-16-17(23(29)28-9-3-4-19(24)22(28)25-16)7-10-26-11-13-27(14-12-26)20-5-2-6-21-18(20)8-15-30-21/h2,5-6,8,15,19H,3-4,7,9-14H2,1H3
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n/an/a 5.49n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319733
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-14-15(4-5-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
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n/an/a 5.97n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319734
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-4-1-3-15(20(17)27-21)7-9-24-10-12-25(13-11-24)18-5-2-6-19-16(18)8-14-26-19/h1-6,8,14H,7,9-13H2,(H2,22,23)
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n/an/a 6.02n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319614
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C22H23N3OS/c26-22-15-17-14-16(4-5-19(17)23-22)6-8-24-9-11-25(12-10-24)20-2-1-3-21-18(20)7-13-27-21/h1-5,7,13-14H,6,8-12,15H2,(H,23,26)
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n/an/a 6.36n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319716
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1COc2ccc(CCN3CCC(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H24N2O2S/c26-23-15-27-21-5-4-16(14-20(21)24-23)6-10-25-11-7-17(8-12-25)18-2-1-3-22-19(18)9-13-28-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26)
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n/an/a 6.81n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319610
PNG
((+)-3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 6.89n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319702
PNG
(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C21H21FN4OS/c22-20-13-15-18(2-1-3-19(15)28-20)26-10-8-25(9-11-26)7-6-14-4-5-16-17(12-14)24-21(27)23-16/h1-5,12-13H,6-11H2,(H2,23,24,27)
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n/an/a 6.91n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319615
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C23H23N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,9,15-16H,8,10-14H2,(H,24,27)
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n/an/a 7.06n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319737
PNG
(4-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2c(CCN3CCN(CC3)c3cccc4sccc34)cccc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-20-15(3-1-6-19(20)27-21)7-9-24-10-12-25(13-11-24)17-4-2-5-18-16(17)8-14-26-18/h1-6,8,14H,7,9-13H2,(H2,22,23)
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n/an/a 7.33n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319708
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1CCc2ccc(CCN3CCC(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C24H26N2OS/c27-24-7-6-19-5-4-17(16-22(19)25-24)8-12-26-13-9-18(10-14-26)20-2-1-3-23-21(20)11-15-28-23/h1-5,11,15-16,18H,6-10,12-14H2,(H,25,27)
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n/an/a 7.40n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319628
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Show InChI InChI=1S/C21H21N3OS2/c25-21-22-17-5-4-15(14-20(17)27-21)6-8-23-9-11-24(12-10-23)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H,22,25)
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n/an/a 7.64n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM319634
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1cccc2sccc12
Show InChI InChI=1S/C24H29N3O2S/c1-16-18(24(29)27-11-3-5-21(28)23(27)25-16)9-14-26-12-7-17(8-13-26)19-4-2-6-22-20(19)10-15-30-22/h2,4,6,10,15,17,21,28H,3,5,7-9,11-14H2,1H3
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n/an/a 7.66n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319696
PNG
(6-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
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n/an/a 7.76n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair
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