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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for assayid = 2 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))		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))		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))		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
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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n/an/a 3.32n/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))		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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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))		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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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
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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n/an/a 4.69n/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))		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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n/an/a 5.32n/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))		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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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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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))		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
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
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM319714
PNG
(6-(2-(4-(2-methoxybenzo[b]thiophen-4-yl)piperazin-...)
Show SMILES COc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C24H27N3O2S/c1-29-24-16-19-21(3-2-4-22(19)30-24)27-13-11-26(12-14-27)10-9-17-5-7-20-18(15-17)6-8-23(28)25-20/h2-5,7,15-16H,6,8-14H2,1H3,(H,25,28)
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n/an/a 8.06n/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))		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 8.40n/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 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))		BDBM319724
PNG
(3-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)buty...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
Show InChI InChI=1S/C25H29N3OS/c1-29-20-8-9-23-22(17-20)19(18-26-23)5-2-3-11-27-12-14-28(15-13-27)24-6-4-7-25-21(24)10-16-30-25/h4,6-10,16-18,26H,2-3,5,11-15H2,1H3
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n/an/a 8.43n/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))		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 8.62n/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))		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 8.83n/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))		BDBM319712
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2n(C)c1=O
Show InChI InChI=1S/C23H26N4OS/c1-24-20-7-6-17(16-21(20)25(2)23(24)28)8-10-26-11-13-27(14-12-26)19-4-3-5-22-18(19)9-15-29-22/h3-7,9,15-16H,8,10-14H2,1-2H3
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n/an/a 9.24n/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))		BDBM319745
PNG
(1-(benzo[b]thiophen-4-yl)-4-(4-(1-cyclohexyl-1H-te...)
Show SMILES C(CCc1nnnn1C1CCCCC1)CN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H32N6S/c1-2-7-19(8-3-1)29-23(24-25-26-29)11-4-5-13-27-14-16-28(17-15-27)21-9-6-10-22-20(21)12-18-30-22/h6,9-10,12,18-19H,1-5,7-8,11,13-17H2
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n/an/a 9.40n/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 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 10.2n/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))		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 10.4n/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))		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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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))		BDBM319715
PNG
(3-(2-(4-(6-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cc(F)cc2sccc12
Show InChI InChI=1S/C23H27FN4OS/c1-16-18(23(29)28-7-3-2-4-22(28)25-16)5-8-26-9-11-27(12-10-26)20-14-17(24)15-21-19(20)6-13-30-21/h6,13-15H,2-5,7-12H2,1H3
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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))		BDBM319709
PNG
(5-(2-(4-(6-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc(N2CCN(CCc3ccc4NC(=O)Cc4c3)CC2)c2ccsc2c1
Show InChI InChI=1S/C22H22FN3OS/c23-17-13-20(18-4-10-28-21(18)14-17)26-8-6-25(7-9-26)5-3-15-1-2-19-16(11-15)12-22(27)24-19/h1-2,4,10-11,13-14H,3,5-9,12H2,(H,24,27)
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n/an/a 10.9n/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))		BDBM319707
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1Cc2cc(CCN3CCC(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C23H24N2OS/c26-23-15-18-14-16(4-5-21(18)24-23)6-10-25-11-7-17(8-12-25)19-2-1-3-22-20(19)9-13-27-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26)
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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))		BDBM319742
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES S=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C23H25N3S2/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 10.9n/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))		BDBM319607
PNG
(3-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazi...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2SCCc12
Show InChI InChI=1S/C23H30N4O2S/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/h2,4,6,20,28H,3,5,7-15H2,1H3
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n/an/a 11.8n/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))		BDBM319717
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1CCc2cc(CCN3CCC(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C24H26N2OS/c27-24-7-5-19-16-17(4-6-22(19)25-24)8-12-26-13-9-18(10-14-26)20-2-1-3-23-21(20)11-15-28-23/h1-4,6,11,15-16,18H,5,7-10,12-14H2,(H,25,27)
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n/an/a 12.4n/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))		BDBM319617
PNG
(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C22H22ClN3OS/c23-18-14-19-16(13-22(27)24-19)12-15(18)4-6-25-7-9-26(10-8-25)20-2-1-3-21-17(20)5-11-28-21/h1-3,5,11-12,14H,4,6-10,13H2,(H,24,27)
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n/an/a 12.9n/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))		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 13.2n/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))		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 13.3n/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))		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 14.3n/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))		BDBM319618
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C=CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 |c:4|
Show InChI InChI=1S/C23H26N4OS/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/h2,4-7,9,16H,3,8,10-15H2,1H3
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n/an/a 16.7n/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))		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 19.5n/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))		BDBM319619
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C30H30N4O2S/c1-22-24(12-15-32-16-18-33(19-17-32)26-9-5-11-28-25(26)13-20-37-28)30(35)34-14-6-10-27(29(34)31-22)36-21-23-7-3-2-4-8-23/h2-11,13-14,20H,12,15-19,21H2,1H3
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n/an/a 20.7n/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))		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 21n/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))		BDBM319725
PNG
(3-(3-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)prop...)
Show SMILES N#Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4sccc34)c2c1
Show InChI InChI=1S/C24H24N4S/c25-16-18-6-7-22-21(15-18)19(17-26-22)3-2-9-27-10-12-28(13-11-27)23-4-1-5-24-20(23)8-14-29-24/h1,4-8,14-15,17,26H,2-3,9-13H2
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n/an/a 21.7n/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))		BDBM319711
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cn1c2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2[nH]c1=O
Show InChI InChI=1S/C22H24N4OS/c1-24-20-15-16(5-6-18(20)23-22(24)27)7-9-25-10-12-26(13-11-25)19-3-2-4-21-17(19)8-14-28-21/h2-6,8,14-15H,7,9-13H2,1H3,(H,23,27)
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n/an/a 23.5n/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))		BDBM319728
PNG
(6-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)buty...)
Show SMILES O=C1CCc2cc(CCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C25H29N3OS/c29-25-10-8-20-18-19(7-9-22(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/h3,5-7,9,11,17-18H,1-2,4,8,10,12-16H2,(H,26,29)
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n/an/a 23.9n/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))		BDBM319705
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2c(=O)[nH]1
Show InChI InChI=1S/C23H24N4OS/c1-16-24-20-6-5-17(15-19(20)23(28)25-16)7-9-26-10-12-27(13-11-26)21-3-2-4-22-18(21)8-14-29-22/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,25,28)
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n/an/a 25.1n/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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