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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 S receptor' AND taxid = 9606   
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
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
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0.300n/a 0.980n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Receptor Source: Human recombinant expressed in CHO cells Radioligand: [3H]Spiperone (20-60 Ci/mmol) Control Compound: Haloperidol Incubatio...


US Patent US9604944 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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0.610n/a 1.96n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Receptor Source: Human recombinant expressed in CHO cells Radioligand: [3H]Spiperone (20-60 Ci/mmol) Control Compound: Haloperidol Incubatio...


US Patent US9604944 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301950
PNG
(3-(4-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H28FN5O2/c1-29-20-14-21(30-2)26-22(25-20)28-11-9-27(10-12-28)8-4-3-5-16-15-24-19-7-6-17(23)13-18(16)19/h6-7,13-15,24H,3-5,8-12H2,1-2H3
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110n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301962
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C21H27N5/c1-16-14-17(2)24-21(23-16)26-12-10-25(11-13-26)9-5-6-18-15-22-20-8-4-3-7-19(18)20/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3
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110n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301991
PNG
(2-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-y...)
Show SMILES Cc1nc(sc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H24N6S/c1-16-21(14-24)29-22(26-16)28-10-8-27(9-11-28)7-3-2-4-18-15-25-20-6-5-17(13-23)12-19(18)20/h5-6,12,15,25H,2-4,7-11H2,1H3
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130n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301981
PNG
(Ethyl 2-(4-(4-(5-fluoro-1H-indol-3-yl)butyl)pipera...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C23H29FN4O2S/c1-3-30-22(29)21-16(2)26-23(31-21)28-12-10-27(11-13-28)9-5-4-6-17-15-25-20-8-7-18(24)14-19(17)20/h7-8,14-15,25H,3-6,9-13H2,1-2H3
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130n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301985
PNG
(2-(4-(4-(5-Fluoro-1H-indol-3-yl)butyl)piperazin-1-...)
Show SMILES Cc1nc(sc1C(N)=O)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C21H26FN5OS/c1-14-19(20(23)28)29-21(25-14)27-10-8-26(9-11-27)7-3-2-4-15-13-24-18-6-5-16(22)12-17(15)18/h5-6,12-13,24H,2-4,7-11H2,1H3,(H2,23,28)
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140n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301972
PNG
(3-(3-(4-(4-Cyanopyrimidin-2-yl)piperazin-1-yl)prop...)
Show SMILES N#Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3nccc(n3)C#N)c2c1
Show InChI InChI=1S/C21H21N7/c22-13-16-3-4-20-19(12-16)17(15-25-20)2-1-7-27-8-10-28(11-9-27)21-24-6-5-18(14-23)26-21/h3-6,12,15,25H,1-2,7-11H2
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190n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301956
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H26N6O2/c1-29-20-13-21(30-2)26-22(25-20)28-10-8-27(9-11-28)7-3-4-17-15-24-19-6-5-16(14-23)12-18(17)19/h5-6,12-13,15,24H,3-4,7-11H2,1-2H3
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200n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301975
PNG
(2-(4-(3-(5-Fluoro-1H-indol-3-yl)propyl)piperazin-1...)
Show SMILES NC(=O)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C20H23FN6O/c21-15-3-4-17-16(12-15)14(13-24-17)2-1-7-26-8-10-27(11-9-26)20-23-6-5-18(25-20)19(22)28/h3-6,12-13,24H,1-2,7-11H2,(H2,22,28)
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230n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301982
PNG
(Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piper...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H27FN4O2S/c1-3-29-21(28)20-15(2)25-22(30-20)27-11-9-26(10-12-27)8-4-5-16-14-24-19-7-6-17(23)13-18(16)19/h6-7,13-14,24H,3-5,8-12H2,1-2H3
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US Patent
270n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301974
PNG
(2-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-y...)
Show SMILES NC(=O)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H25N7O/c23-14-16-4-5-19-18(13-16)17(15-26-19)3-1-2-8-28-9-11-29(12-10-28)22-25-7-6-20(27-22)21(24)30/h4-7,13,15,26H,1-3,8-12H2,(H2,24,30)
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US Patent
310n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301986
PNG
(2-(4-(3-(5-Fluoro-1H-indol-3-yl)propyl)piperazin-1...)
Show SMILES Cc1nc(sc1C(N)=O)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C20H24FN5OS/c1-13-18(19(22)27)28-20(24-13)26-9-7-25(8-10-26)6-2-3-14-12-23-17-5-4-15(21)11-16(14)17/h4-5,11-12,23H,2-3,6-10H2,1H3,(H2,22,27)
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310n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301973
PNG
(2-(4-(4-(5-Fluoro-1H-indol-3-yl)butyl)piperazin-1-...)
Show SMILES NC(=O)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C21H25FN6O/c22-16-4-5-18-17(13-16)15(14-25-18)3-1-2-8-27-9-11-28(12-10-27)21-24-7-6-19(26-21)20(23)29/h4-7,13-14,25H,1-3,8-12H2,(H2,23,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301990
PNG
(2-(4-(3-(5-Fluoro-1H-indol-3-yl)propyl)piperazin-1...)
Show SMILES Cc1nc(sc1C#N)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C20H22FN5S/c1-14-19(12-22)27-20(24-14)26-9-7-25(8-10-26)6-2-3-15-13-23-18-5-4-16(21)11-17(15)18/h4-5,11,13,23H,2-3,6-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301989
PNG
(2-(4-(4-(5-Fluoro-1H-indol-3-yl)butyl)piperazin-1-...)
Show SMILES Cc1nc(sc1C#N)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C21H24FN5S/c1-15-20(13-23)28-21(25-15)27-10-8-26(9-11-27)7-3-2-4-16-14-24-19-6-5-17(22)12-18(16)19/h5-6,12,14,24H,2-4,7-11H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301976
PNG
(2-(4-(3-(5-Cyano-1H-indol-3-yl)propyl)piperazin-1-...)
Show SMILES NC(=O)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N7O/c22-13-15-3-4-18-17(12-15)16(14-25-18)2-1-7-27-8-10-28(11-9-27)21-24-6-5-19(26-21)20(23)29/h3-6,12,14,25H,1-2,7-11H2,(H2,23,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301984
PNG
(Ethyl 2-(4-(3-(5-cyano-1H-indol-3-yl)propyl)pipera...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H27N5O2S/c1-3-30-22(29)21-16(2)26-23(31-21)28-11-9-27(10-12-28)8-4-5-18-15-25-20-7-6-17(14-24)13-19(18)20/h6-7,13,15,25H,3-5,8-12H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301988
PNG
(2-(4-(3-(5-Cyano-1H-indol-3-yl)propyl)piperazin-1-...)
Show SMILES Cc1nc(sc1C(N)=O)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H24N6OS/c1-14-19(20(23)28)29-21(25-14)27-9-7-26(8-10-27)6-2-3-16-13-24-18-5-4-15(12-22)11-17(16)18/h4-5,11,13,24H,2-3,6-10H2,1H3,(H2,23,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair