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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50044790   
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))
BDBM50030482
PNG
(CHEMBL3344459)
Show SMILES [H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-12(2)6-15-7-14-11-21-5-4-13-8-19(23-3)18(22)9-16(13)17(21)10-20(14)24-15/h7-9,12,17,22H,4-6,10-11H2,1-3H3/t17-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030491
PNG
(CHEMBL3344470)
Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1
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12n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030487
PNG
(CHEMBL3344466)
Show SMILES [H][C@@]12Cc3sc(CC4CC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H23NO2S/c1-23-19-8-13-4-5-21-11-14-7-15(6-12-2-3-12)24-20(14)10-17(21)16(13)9-18(19)22/h7-9,12,17,22H,2-6,10-11H2,1H3/t17-/m0/s1
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12n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030488
PNG
(CHEMBL3344467)
Show SMILES [H][C@@]12Cc3sc(CCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H20ClNO2S/c1-22-17-7-11-3-5-20-10-12-6-13(2-4-19)23-18(12)9-15(20)14(11)8-16(17)21/h6-8,15,21H,2-5,9-10H2,1H3/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030490
PNG
(CHEMBL3344469)
Show SMILES [H][C@@]12Cc3sc(CC(C)Cl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-11(20)5-14-6-13-10-21-4-3-12-7-18(23-2)17(22)8-15(12)16(21)9-19(13)24-14/h6-8,11,16,22H,3-5,9-10H2,1-2H3/t11?,16-/m0/s1
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16n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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16n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D3 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030489
PNG
(CHEMBL3344468)
Show SMILES [H][C@@]12Cc3sc(CCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-23-18-8-12-4-6-21-11-13-7-14(3-2-5-20)24-19(13)10-16(21)15(12)9-17(18)22/h7-9,16,22H,2-6,10-11H2,1H3/t16-/m0/s1
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18n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50030482
PNG
(CHEMBL3344459)
Show SMILES [H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-12(2)6-15-7-14-11-21-5-4-13-8-19(23-3)18(22)9-16(13)17(21)10-20(14)24-15/h7-9,12,17,22H,4-6,10-11H2,1-3H3/t17-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D3 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030479
PNG
(CHEMBL3344456)
Show SMILES [H][C@@]12Cc3sc(CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H21NO2S/c1-3-13-6-12-10-19-5-4-11-7-17(21-2)16(20)8-14(11)15(19)9-18(12)22-13/h6-8,15,20H,3-5,9-10H2,1-2H3/t15-/m0/s1
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26n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030484
PNG
(CHEMBL3344462)
Show SMILES [H][C@@]12Cc3sc(CC(C)CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-4-13(2)7-16-8-15-12-22-6-5-14-9-20(24-3)19(23)10-17(14)18(22)11-21(15)25-16/h8-10,13,18,23H,4-7,11-12H2,1-3H3/t13?,18-/m0/s1
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29n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030488
PNG
(CHEMBL3344467)
Show SMILES [H][C@@]12Cc3sc(CCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H20ClNO2S/c1-22-17-7-11-3-5-20-10-12-6-13(2-4-19)23-18(12)9-15(20)14(11)8-16(17)21/h6-8,15,21H,2-5,9-10H2,1H3/t15-/m0/s1
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34n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030486
PNG
(CHEMBL3344465)
Show SMILES [H][C@@]12Cc3sc(CC4CCC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2S/c1-24-20-9-14-5-6-22-12-15-8-16(7-13-3-2-4-13)25-21(15)11-18(22)17(14)10-19(20)23/h8-10,13,18,23H,2-7,11-12H2,1H3/t18-/m0/s1
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34n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030480
PNG
(CHEMBL3344457)
Show SMILES [H][C@@]12Cc3sc(CCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1
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39n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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40n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D3 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030479
PNG
(CHEMBL3344456)
Show SMILES [H][C@@]12Cc3sc(CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H21NO2S/c1-3-13-6-12-10-19-5-4-11-7-17(21-2)16(20)8-14(11)15(19)9-18(12)22-13/h6-8,15,20H,3-5,9-10H2,1-2H3/t15-/m0/s1
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41n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030490
PNG
(CHEMBL3344469)
Show SMILES [H][C@@]12Cc3sc(CC(C)Cl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-11(20)5-14-6-13-10-21-4-3-12-7-18(23-2)17(22)8-15(12)16(21)9-19(13)24-14/h6-8,11,16,22H,3-5,9-10H2,1-2H3/t11?,16-/m0/s1
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46n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030483
PNG
(CHEMBL3344460)
Show SMILES [H][C@@]12Cc3sc(CCCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-3-4-5-6-16-9-15-13-22-8-7-14-10-20(24-2)19(23)11-17(14)18(22)12-21(15)25-16/h9-11,18,23H,3-8,12-13H2,1-2H3/t18-/m0/s1
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47n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030480
PNG
(CHEMBL3344457)
Show SMILES [H][C@@]12Cc3sc(CCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1
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62n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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62n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030487
PNG
(CHEMBL3344466)
Show SMILES [H][C@@]12Cc3sc(CC4CC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H23NO2S/c1-23-19-8-13-4-5-21-11-14-7-15(6-12-2-3-12)24-20(14)10-17(21)16(13)9-18(19)22/h7-9,12,17,22H,2-6,10-11H2,1H3/t17-/m0/s1
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66n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030489
PNG
(CHEMBL3344468)
Show SMILES [H][C@@]12Cc3sc(CCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-23-18-8-12-4-6-21-11-13-7-14(3-2-5-20)24-19(13)10-16(21)15(12)9-17(18)22/h7-9,16,22H,2-6,10-11H2,1H3/t16-/m0/s1
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77n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030492
PNG
(CHEMBL3344461)
Show SMILES [H][C@@]12Cc3sc(CCC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-13(2)4-5-16-8-15-12-22-7-6-14-9-20(24-3)19(23)10-17(14)18(22)11-21(15)25-16/h8-10,13,18,23H,4-7,11-12H2,1-3H3/t18-/m0/s1
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80n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030478
PNG
(CHEMBL3344356)
Show SMILES [H][C@@]12Cc3sccc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C16H17NO2S/c1-19-15-6-10-2-4-17-9-11-3-5-20-16(11)8-13(17)12(10)7-14(15)18/h3,5-7,13,18H,2,4,8-9H2,1H3/t13-/m0/s1
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87n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030478
PNG
(CHEMBL3344356)
Show SMILES [H][C@@]12Cc3sccc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C16H17NO2S/c1-19-15-6-10-2-4-17-9-11-3-5-20-16(11)8-13(17)12(10)7-14(15)18/h3,5-7,13,18H,2,4,8-9H2,1H3/t13-/m0/s1
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88n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D3 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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105n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030489
PNG
(CHEMBL3344468)
Show SMILES [H][C@@]12Cc3sc(CCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-23-18-8-12-4-6-21-11-13-7-14(3-2-5-20)24-19(13)10-16(21)15(12)9-17(18)22/h7-9,16,22H,2-6,10-11H2,1H3/t16-/m0/s1
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119n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030482
PNG
(CHEMBL3344459)
Show SMILES [H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-12(2)6-15-7-14-11-21-5-4-13-8-19(23-3)18(22)9-16(13)17(21)10-20(14)24-15/h7-9,12,17,22H,4-6,10-11H2,1-3H3/t17-/m0/s1
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128n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030483
PNG
(CHEMBL3344460)
Show SMILES [H][C@@]12Cc3sc(CCCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-3-4-5-6-16-9-15-13-22-8-7-14-10-20(24-2)19(23)11-17(14)18(22)12-21(15)25-16/h9-11,18,23H,3-8,12-13H2,1-2H3/t18-/m0/s1
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133n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030487
PNG
(CHEMBL3344466)
Show SMILES [H][C@@]12Cc3sc(CC4CC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H23NO2S/c1-23-19-8-13-4-5-21-11-14-7-15(6-12-2-3-12)24-20(14)10-17(21)16(13)9-18(19)22/h7-9,12,17,22H,2-6,10-11H2,1H3/t17-/m0/s1
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175n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030485
PNG
(CHEMBL3344463)
Show SMILES [H][C@@]12Cc3sc(CC(C)(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-21(2,3)11-15-7-14-12-22-6-5-13-8-19(24-4)18(23)9-16(13)17(22)10-20(14)25-15/h7-9,17,23H,5-6,10-12H2,1-4H3/t17-/m0/s1
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190n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030490
PNG
(CHEMBL3344469)
Show SMILES [H][C@@]12Cc3sc(CC(C)Cl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C19H22ClNO2S/c1-11(20)5-14-6-13-10-21-4-3-12-7-18(23-2)17(22)8-15(12)16(21)9-19(13)24-14/h6-8,11,16,22H,3-5,9-10H2,1-2H3/t11?,16-/m0/s1
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285n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030486
PNG
(CHEMBL3344465)
Show SMILES [H][C@@]12Cc3sc(CC4CCC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2S/c1-24-20-9-14-5-6-22-12-15-8-16(7-13-3-2-4-13)25-21(15)11-18(22)17(14)10-19(20)23/h8-10,13,18,23H,2-7,11-12H2,1H3/t18-/m0/s1
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379n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030484
PNG
(CHEMBL3344462)
Show SMILES [H][C@@]12Cc3sc(CC(C)CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-4-13(2)7-16-8-15-12-22-6-5-14-9-20(24-3)19(23)10-17(14)18(22)11-21(15)25-16/h8-10,13,18,23H,4-7,11-12H2,1-3H3/t13?,18-/m0/s1
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403n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030488
PNG
(CHEMBL3344467)
Show SMILES [H][C@@]12Cc3sc(CCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H20ClNO2S/c1-22-17-7-11-3-5-20-10-12-6-13(2-4-19)23-18(12)9-15(20)14(11)8-16(17)21/h6-8,15,21H,2-5,9-10H2,1H3/t15-/m0/s1
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553n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030485
PNG
(CHEMBL3344463)
Show SMILES [H][C@@]12Cc3sc(CC(C)(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H27NO2S/c1-21(2,3)11-15-7-14-12-22-6-5-13-8-19(24-4)18(23)9-16(13)17(22)10-20(14)25-15/h7-9,17,23H,5-6,10-12H2,1-4H3/t17-/m0/s1
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634n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030491
PNG
(CHEMBL3344470)
Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1
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655n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030491
PNG
(CHEMBL3344470)
Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1
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PubMed
719n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030486
PNG
(CHEMBL3344465)
Show SMILES [H][C@@]12Cc3sc(CC4CCC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2S/c1-24-20-9-14-5-6-22-12-15-8-16(7-13-3-2-4-13)25-21(15)11-18(22)17(14)10-19(20)23/h8-10,13,18,23H,2-7,11-12H2,1H3/t18-/m0/s1
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PubMed
778n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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PubMed
864n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50030479
PNG
(CHEMBL3344456)
Show SMILES [H][C@@]12Cc3sc(CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C18H21NO2S/c1-3-13-6-12-10-19-5-4-11-7-17(21-2)16(20)8-14(11)15(19)9-18(12)22-13/h6-8,15,20H,3-5,9-10H2,1-2H3/t15-/m0/s1
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998n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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PubMed
n/an/a 30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of SKF38393


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030482
PNG
(CHEMBL3344459)
Show SMILES [H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-12(2)6-15-7-14-11-21-5-4-13-8-19(23-3)18(22)9-16(13)17(21)10-20(14)24-15/h7-9,12,17,22H,4-6,10-11H2,1-3H3/t17-/m0/s1
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PubMed
n/an/a 160n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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PubMed
n/an/a 410n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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PubMed
n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of SKF38393


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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PubMed
n/an/a 910n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50030482
PNG
(CHEMBL3344459)
Show SMILES [H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-12(2)6-15-7-14-11-21-5-4-13-8-19(23-3)18(22)9-16(13)17(21)10-20(14)24-15/h7-9,12,17,22H,4-6,10-11H2,1-3H3/t17-/m0/s1
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PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of SKF38393


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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n/an/a 4.38E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
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