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PubMed code 20064718

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306440
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21
Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306442
PNG
((6aS,13bS)-11-chloro-7-methyl-4-phenyl-6,6a,7,8,9,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccccc1
Show InChI InChI=1S/C25H24ClNO/c1-27-13-12-17-14-22(26)24(28)15-21(17)25-20-9-5-8-18(16-6-3-2-4-7-16)19(20)10-11-23(25)27/h2-9,14-15,23,25,28H,10-13H2,1H3/t23-,25+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306452
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1
Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306443
PNG
((6aS,13bS)-11-chloro-4-(3-fluorophenyl)-7-methyl-6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(F)c1
Show InChI InChI=1S/C25H23ClFNO/c1-28-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)28)15-4-2-5-17(27)12-15/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306435
PNG
((6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306445
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(3-nitrophenyl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClN2O3/c1-27-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)27)15-4-2-5-17(12-15)28(30)31/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306453
PNG
((6aS,13bS)-11-chloro-4-(1H-indol-5-yl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H25ClN2O/c1-30-12-10-17-14-23(28)26(31)15-22(17)27-21-4-2-3-19(20(21)6-8-25(27)30)16-5-7-24-18(13-16)9-11-29-24/h2-5,7,9,11,13-15,25,27,29,31H,6,8,10,12H2,1H3/t25-,27+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306444
PNG
(3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306449
PNG
((6aS,13bS)-11-chloro-4-(4-(dimethylamino)phenyl)-7...)
Show SMILES CN(C)c1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)19-9-7-17(8-10-19)20-5-4-6-22-21(20)11-12-25-27(22)23-16-26(31)24(28)15-18(23)13-14-30(25)3/h4-10,15-16,25,27,31H,11-14H2,1-3H3/t25-,27+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306450
PNG
((6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1
Show InChI InChI=1S/C26H26ClNO2/c1-28-12-11-18-13-23(27)25(30)14-22(18)26-21-4-2-3-19(20(21)9-10-24(26)28)17-7-5-16(15-29)6-8-17/h2-8,13-14,24,26,29-30H,9-12,15H2,1H3/t24-,26+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306448
PNG
((6aS,13bS)-11-chloro-4-(4-methoxyphenyl)-7-methyl-...)
Show SMILES COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C26H26ClNO2/c1-28-13-12-17-14-23(27)25(29)15-22(17)26-21-5-3-4-19(20(21)10-11-24(26)28)16-6-8-18(30-2)9-7-16/h3-9,14-15,24,26,29H,10-13H2,1-2H3/t24-,26+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306447
PNG
((6aS,13bS)-11-chloro-4-(3,5-difluorophenyl)-7-meth...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H22ClF2NO/c1-29-8-7-14-11-22(26)24(30)13-21(14)25-20-4-2-3-18(19(20)5-6-23(25)29)15-9-16(27)12-17(28)10-15/h2-4,9-13,23,25,30H,5-8H2,1H3/t23-,25+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306451
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(thiophen-2-yl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccs1
Show InChI InChI=1S/C23H22ClNOS/c1-25-10-9-14-12-19(24)21(26)13-18(14)23-17-5-2-4-16(22-6-3-11-27-22)15(17)7-8-20(23)25/h2-6,11-13,20,23,26H,7-10H2,1H3/t20-,23+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306441
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21
Show InChI InChI=1S/C26H25ClN2O2/c1-29-13-12-17-14-23(27)25(30)15-22(17)26-21-9-5-6-18(20(21)10-11-24(26)29)16-28-31-19-7-3-2-4-8-19/h2-9,14-16,24,26,30H,10-13H2,1H3/b28-16+/t24-,26+/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306435
PNG
((6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306437
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CN=O)cccc21
Show InChI InChI=1S/C20H21ClN2O2/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22-25)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8,11H2,1H3/t18-,20+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306439
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-27-24-13-15-5-4-6-17-16(15)7-8-20-22(17)18-12-21(26)19(23)11-14(18)9-10-25(20)2/h4-6,11-13,20,22,26H,3,7-10H2,1-2H3/b24-13+/t20-,22+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306451
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(thiophen-2-yl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccs1
Show InChI InChI=1S/C23H22ClNOS/c1-25-10-9-14-12-19(24)21(26)13-18(14)23-17-5-2-4-16(22-6-3-11-27-22)15(17)7-8-20(23)25/h2-6,11-13,20,23,26H,7-10H2,1H3/t20-,23+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306456
PNG
((6aS,13bS)-11-chloro-4-(hydroxymethyl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CO)cccc21
Show InChI InChI=1S/C20H22ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-10,18,20,23-24H,5-8,11H2,1H3/t18-,20+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306441
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21
Show InChI InChI=1S/C26H25ClN2O2/c1-29-13-12-17-14-23(27)25(30)15-22(17)26-21-9-5-6-18(20(21)10-11-24(26)29)16-28-31-19-7-3-2-4-8-19/h2-9,14-16,24,26,30H,10-13H2,1H3/b28-16+/t24-,26+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306458
PNG
((6aS,13bS)-methyl 11-chloro-12-hydroxy-7-methyl-6,...)
Show SMILES COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H22ClNO3/c1-23-9-8-12-10-17(22)19(24)11-16(12)20-14-4-3-5-15(21(25)26-2)13(14)6-7-18(20)23/h3-5,10-11,18,20,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306446
PNG
((6aR,13bS)-11-chloro-7-methyl-4-(3-(trifluorometho...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@H]1CCc1c2cccc1-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H23ClF3NO2/c1-31-11-10-16-13-22(27)24(32)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)31)15-4-2-5-17(12-15)33-26(28,29)30/h2-7,12-14,23,25,32H,8-11H2,1H3/t23-,25-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306440
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21
Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306455
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(C=O)cccc21
Show InChI InChI=1S/C20H20ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-11,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306457
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(cccc21)C#N
Show InChI InChI=1S/C20H19ClN2O/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306454
PNG
((6aS,13bS)-4-bromo-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(Br)cccc21
Show InChI InChI=1S/C19H19BrClNO/c1-22-8-7-11-9-16(21)18(23)10-14(11)19-13-3-2-4-15(20)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3/t17-,19+/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306436
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1N1CCCC1=O
Show InChI InChI=1S/C23H25ClN2O2/c1-25-11-9-14-12-18(24)21(27)13-17(14)23-16-4-2-5-19(15(16)7-8-20(23)25)26-10-3-6-22(26)28/h2,4-5,12-13,20,23,27H,3,6-11H2,1H3/t20-,23+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306437
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CN=O)cccc21
Show InChI InChI=1S/C20H21ClN2O2/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22-25)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8,11H2,1H3/t18-,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306455
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(C=O)cccc21
Show InChI InChI=1S/C20H20ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-11,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306444
PNG
(3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306458
PNG
((6aS,13bS)-methyl 11-chloro-12-hydroxy-7-methyl-6,...)
Show SMILES COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H22ClNO3/c1-23-9-8-12-10-17(22)19(24)11-16(12)20-14-4-3-5-15(21(25)26-2)13(14)6-7-18(20)23/h3-5,10-11,18,20,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306438
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H23ClN2O2/c1-24-9-8-13-10-18(22)20(25)11-17(13)21-16-5-3-4-14(12-23-26-2)15(16)6-7-19(21)24/h3-5,10-12,19,21,25H,6-9H2,1-2H3/b23-12+/t19-,21+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306445
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(3-nitrophenyl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClN2O3/c1-27-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)27)15-4-2-5-17(12-15)28(30)31/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306448
PNG
((6aS,13bS)-11-chloro-4-(4-methoxyphenyl)-7-methyl-...)
Show SMILES COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C26H26ClNO2/c1-28-13-12-17-14-23(27)25(29)15-22(17)26-21-5-3-4-19(20(21)10-11-24(26)28)16-6-8-18(30-2)9-7-16/h3-9,14-15,24,26,29H,10-13H2,1-2H3/t24-,26+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306456
PNG
((6aS,13bS)-11-chloro-4-(hydroxymethyl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CO)cccc21
Show InChI InChI=1S/C20H22ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-10,18,20,23-24H,5-8,11H2,1H3/t18-,20+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306454
PNG
((6aS,13bS)-4-bromo-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(Br)cccc21
Show InChI InChI=1S/C19H19BrClNO/c1-22-8-7-11-9-16(21)18(23)10-14(11)19-13-3-2-4-15(20)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3/t17-,19+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306439
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-27-24-13-15-5-4-6-17-16(15)7-8-20-22(17)18-12-21(26)19(23)11-14(18)9-10-25(20)2/h4-6,11-13,20,22,26H,3,7-10H2,1-2H3/b24-13+/t20-,22+/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306452
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1
Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1
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10.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306449
PNG
((6aS,13bS)-11-chloro-4-(4-(dimethylamino)phenyl)-7...)
Show SMILES CN(C)c1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)19-9-7-17(8-10-19)20-5-4-6-22-21(20)11-12-25-27(22)23-16-26(31)24(28)15-18(23)13-14-30(25)3/h4-10,15-16,25,27,31H,11-14H2,1-3H3/t25-,27+/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306438
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H23ClN2O2/c1-24-9-8-13-10-18(22)20(25)11-17(13)21-16-5-3-4-14(12-23-26-2)15(16)6-7-19(21)24/h3-5,10-12,19,21,25H,6-9H2,1-2H3/b23-12+/t19-,21+/m0/s1
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22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306436
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1N1CCCC1=O
Show InChI InChI=1S/C23H25ClN2O2/c1-25-11-9-14-12-18(24)21(27)13-17(14)23-16-4-2-5-19(15(16)7-8-20(23)25)26-10-3-6-22(26)28/h2,4-5,12-13,20,23,27H,3,6-11H2,1H3/t20-,23+/m0/s1
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26.9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306459
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1C(O)=O
Show InChI InChI=1S/C20H20ClNO3/c1-22-8-7-11-9-16(21)18(23)10-15(11)19-13-3-2-4-14(20(24)25)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3,(H,24,25)/t17-,19+/m0/s1
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38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306453
PNG
((6aS,13bS)-11-chloro-4-(1H-indol-5-yl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H25ClN2O/c1-30-12-10-17-14-23(28)26(31)15-22(17)27-21-4-2-3-19(20(21)6-8-25(27)30)16-5-7-24-18(13-16)9-11-29-24/h2-5,7,9,11,13-15,25,27,29,31H,6,8,10,12H2,1H3/t25-,27+/m0/s1
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51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306440
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21
Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1
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69n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306442
PNG
((6aS,13bS)-11-chloro-7-methyl-4-phenyl-6,6a,7,8,9,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccccc1
Show InChI InChI=1S/C25H24ClNO/c1-27-13-12-17-14-22(26)24(28)15-21(17)25-20-9-5-8-18(16-6-3-2-4-7-16)19(20)10-11-23(25)27/h2-9,14-15,23,25,28H,10-13H2,1H3/t23-,25+/m0/s1
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79n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306450
PNG
((6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1
Show InChI InChI=1S/C26H26ClNO2/c1-28-12-11-18-13-23(27)25(30)14-22(18)26-21-4-2-3-19(20(21)9-10-24(26)28)17-7-5-16(15-29)6-8-17/h2-8,13-14,24,26,29-30H,9-12,15H2,1H3/t24-,26+/m0/s1
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89n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306457
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(cccc21)C#N
Show InChI InChI=1S/C20H19ClN2O/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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89n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306451
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(thiophen-2-yl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccs1
Show InChI InChI=1S/C23H22ClNOS/c1-25-10-9-14-12-19(24)21(26)13-18(14)23-17-5-2-4-16(22-6-3-11-27-22)15(17)7-8-20(23)25/h2-6,11-13,20,23,26H,7-10H2,1H3/t20-,23+/m0/s1
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93n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306441
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21
Show InChI InChI=1S/C26H25ClN2O2/c1-29-13-12-17-14-23(27)25(30)15-22(17)26-21-9-5-6-18(20(21)10-11-24(26)29)16-28-31-19-7-3-2-4-8-19/h2-9,14-16,24,26,30H,10-13H2,1H3/b28-16+/t24-,26+/m0/s1
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124n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306439
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-27-24-13-15-5-4-6-17-16(15)7-8-20-22(17)18-12-21(26)19(23)11-14(18)9-10-25(20)2/h4-6,11-13,20,22,26H,3,7-10H2,1-2H3/b24-13+/t20-,22+/m0/s1
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217n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306443
PNG
((6aS,13bS)-11-chloro-4-(3-fluorophenyl)-7-methyl-6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(F)c1
Show InChI InChI=1S/C25H23ClFNO/c1-28-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)28)15-4-2-5-17(27)12-15/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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223n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306447
PNG
((6aS,13bS)-11-chloro-4-(3,5-difluorophenyl)-7-meth...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H22ClF2NO/c1-29-8-7-14-11-22(26)24(30)13-21(14)25-20-4-2-3-18(19(20)5-6-23(25)29)15-9-16(27)12-17(28)10-15/h2-4,9-13,23,25,30H,5-8H2,1H3/t23-,25+/m0/s1
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312n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306459
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1C(O)=O
Show InChI InChI=1S/C20H20ClNO3/c1-22-8-7-11-9-16(21)18(23)10-15(11)19-13-3-2-4-14(20(24)25)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3,(H,24,25)/t17-,19+/m0/s1
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420n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306435
PNG
((6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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440n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306438
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H23ClN2O2/c1-24-9-8-13-10-18(22)20(25)11-17(13)21-16-5-3-4-14(12-23-26-2)15(16)6-7-19(21)24/h3-5,10-12,19,21,25H,6-9H2,1-2H3/b23-12+/t19-,21+/m0/s1
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483n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306448
PNG
((6aS,13bS)-11-chloro-4-(4-methoxyphenyl)-7-methyl-...)
Show SMILES COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C26H26ClNO2/c1-28-13-12-17-14-23(27)25(29)15-22(17)26-21-5-3-4-19(20(21)10-11-24(26)28)16-6-8-18(30-2)9-7-16/h3-9,14-15,24,26,29H,10-13H2,1-2H3/t24-,26+/m0/s1
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550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306444
PNG
(3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
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584n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306445
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(3-nitrophenyl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClN2O3/c1-27-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)27)15-4-2-5-17(12-15)28(30)31/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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618n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306452
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1
Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1
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756n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306437
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CN=O)cccc21
Show InChI InChI=1S/C20H21ClN2O2/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22-25)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8,11H2,1H3/t18-,20+/m0/s1
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882n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306458
PNG
((6aS,13bS)-methyl 11-chloro-12-hydroxy-7-methyl-6,...)
Show SMILES COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H22ClNO3/c1-23-9-8-12-10-17(22)19(24)11-16(12)20-14-4-3-5-15(21(25)26-2)13(14)6-7-18(20)23/h3-5,10-11,18,20,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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923n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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980n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306457
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(cccc21)C#N
Show InChI InChI=1S/C20H19ClN2O/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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1.33E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306436
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1N1CCCC1=O
Show InChI InChI=1S/C23H25ClN2O2/c1-25-11-9-14-12-18(24)21(27)13-17(14)23-16-4-2-5-19(15(16)7-8-20(23)25)26-10-3-6-22(26)28/h2,4-5,12-13,20,23,27H,3,6-11H2,1H3/t20-,23+/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306455
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(C=O)cccc21
Show InChI InChI=1S/C20H20ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-11,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306446
PNG
((6aR,13bS)-11-chloro-7-methyl-4-(3-(trifluorometho...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@H]1CCc1c2cccc1-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H23ClF3NO2/c1-31-11-10-16-13-22(27)24(32)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)31)15-4-2-5-17(12-15)33-26(28,29)30/h2-7,12-14,23,25,32H,8-11H2,1H3/t23-,25-/m1/s1
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1.61E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306456
PNG
((6aS,13bS)-11-chloro-4-(hydroxymethyl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CO)cccc21
Show InChI InChI=1S/C20H22ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-10,18,20,23-24H,5-8,11H2,1H3/t18-,20+/m0/s1
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1.65E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306454
PNG
((6aS,13bS)-4-bromo-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(Br)cccc21
Show InChI InChI=1S/C19H19BrClNO/c1-22-8-7-11-9-16(21)18(23)10-14(11)19-13-3-2-4-15(20)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3/t17-,19+/m0/s1
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1.69E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306435
PNG
((6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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3.99E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306437
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CN=O)cccc21
Show InChI InChI=1S/C20H21ClN2O2/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22-25)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8,11H2,1H3/t18-,20+/m0/s1
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4.37E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306458
PNG
((6aS,13bS)-methyl 11-chloro-12-hydroxy-7-methyl-6,...)
Show SMILES COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H22ClNO3/c1-23-9-8-12-10-17(22)19(24)11-16(12)20-14-4-3-5-15(21(25)26-2)13(14)6-7-18(20)23/h3-5,10-11,18,20,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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4.83E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306452
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1
Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1
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5.06E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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5.52E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306439
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-27-24-13-15-5-4-6-17-16(15)7-8-20-22(17)18-12-21(26)19(23)11-14(18)9-10-25(20)2/h4-6,11-13,20,22,26H,3,7-10H2,1-2H3/b24-13+/t20-,22+/m0/s1
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5.89E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306455
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(C=O)cccc21
Show InChI InChI=1S/C20H20ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-11,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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5.97E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306456
PNG
((6aS,13bS)-11-chloro-4-(hydroxymethyl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CO)cccc21
Show InChI InChI=1S/C20H22ClNO2/c1-22-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-23)14(15)5-6-18(20)22/h2-4,9-10,18,20,23-24H,5-8,11H2,1H3/t18-,20+/m0/s1
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6.28E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306438
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H23ClN2O2/c1-24-9-8-13-10-18(22)20(25)11-17(13)21-16-5-3-4-14(12-23-26-2)15(16)6-7-19(21)24/h3-5,10-12,19,21,25H,6-9H2,1-2H3/b23-12+/t19-,21+/m0/s1
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7.51E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306440
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21
Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1
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8.34E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306454
PNG
((6aS,13bS)-4-bromo-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(Br)cccc21
Show InChI InChI=1S/C19H19BrClNO/c1-22-8-7-11-9-16(21)18(23)10-14(11)19-13-3-2-4-15(20)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8H2,1H3/t17-,19+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306444
PNG
(3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306445
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(3-nitrophenyl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClN2O3/c1-27-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)27)15-4-2-5-17(12-15)28(30)31/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306457
PNG
((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(cccc21)C#N
Show InChI InChI=1S/C20H19ClN2O/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22)14(15)5-6-18(20)23/h2-4,9-10,18,20,24H,5-8H2,1H3/t18-,20+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306436
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1N1CCCC1=O
Show InChI InChI=1S/C23H25ClN2O2/c1-25-11-9-14-12-18(24)21(27)13-17(14)23-16-4-2-5-19(15(16)7-8-20(23)25)26-10-3-6-22(26)28/h2,4-5,12-13,20,23,27H,3,6-11H2,1H3/t20-,23+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306448
PNG
((6aS,13bS)-11-chloro-4-(4-methoxyphenyl)-7-methyl-...)
Show SMILES COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C26H26ClNO2/c1-28-13-12-17-14-23(27)25(29)15-22(17)26-21-5-3-4-19(20(21)10-11-24(26)28)16-6-8-18(30-2)9-7-16/h3-9,14-15,24,26,29H,10-13H2,1-2H3/t24-,26+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306441
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21
Show InChI InChI=1S/C26H25ClN2O2/c1-29-13-12-17-14-23(27)25(30)15-22(17)26-21-9-5-6-18(20(21)10-11-24(26)29)16-28-31-19-7-3-2-4-8-19/h2-9,14-16,24,26,30H,10-13H2,1H3/b28-16+/t24-,26+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306451
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(thiophen-2-yl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccs1
Show InChI InChI=1S/C23H22ClNOS/c1-25-10-9-14-12-19(24)21(26)13-18(14)23-17-5-2-4-16(22-6-3-11-27-22)15(17)7-8-20(23)25/h2-6,11-13,20,23,26H,7-10H2,1H3/t20-,23+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting


Bioorg Med Chem Lett 20: 832-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.094
BindingDB Entry DOI: 10.7270/Q2FX79JH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%