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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50041708   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413618
PNG
(CHEMBL484598)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m1/s1
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4.17n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413630
PNG
(CHEMBL485128)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3COC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H21NO3/c1-2-5-18-6-7-20-16-13-9-14-12(10-21-17(14)19)8-11(13)3-4-15(16)18/h8-9,15-16H,2-7,10H2,1H3/t15-,16-/m1/s1
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7.59n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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14.8n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413621
PNG
(CHEMBL482556)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3cc[nH]c(=O)c3cc21 |r|
Show InChI InChI=1S/C18H22N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h5-6,10-11,16-17H,2-4,7-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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19.1n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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19.5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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36.3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413624
PNG
(CHEMBL484732)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CCNC(=O)c3cc21 |r|
Show InChI InChI=1S/C18H24N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h10-11,16-17H,2-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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38.0n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413626
PNG
(CHEMBL485352)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C#N |r|
Show InChI InChI=1S/C16H20N2O/c1-2-7-18-8-9-19-16-14-10-12(11-17)3-4-13(14)5-6-15(16)18/h3-4,10,15-16H,2,5-9H2,1H3/t15-,16-/m1/s1
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39.8n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413619
PNG
(CHEMBL482978)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(C)=O |r|
Show InChI InChI=1S/C17H23NO2/c1-3-8-18-9-10-20-17-15-11-14(12(2)19)5-4-13(15)6-7-16(17)18/h4-5,11,16-17H,3,6-10H2,1-2H3/t16-,17-/m1/s1
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95.5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413623
PNG
(CHEMBL485325)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CCOC(=O)c3cc21 |r|
Show InChI InChI=1S/C18H23NO3/c1-2-6-19-7-9-21-17-14-11-15-13(5-8-22-18(15)20)10-12(14)3-4-16(17)19/h10-11,16-17H,2-9H2,1H3/t16-,17-/m1/s1
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120n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413628
PNG
(CHEMBL485127)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m0/s1
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501n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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692n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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759n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413624
PNG
(CHEMBL484732)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CCNC(=O)c3cc21 |r|
Show InChI InChI=1S/C18H24N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h10-11,16-17H,2-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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776n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413626
PNG
(CHEMBL485352)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C#N |r|
Show InChI InChI=1S/C16H20N2O/c1-2-7-18-8-9-19-16-14-10-12(11-17)3-4-13(14)5-6-15(16)18/h3-4,10,15-16H,2,5-9H2,1H3/t15-,16-/m1/s1
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794n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413618
PNG
(CHEMBL484598)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m1/s1
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832n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413628
PNG
(CHEMBL485127)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m0/s1
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891n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413634
PNG
(CHEMBL485353)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)OC |r|
Show InChI InChI=1S/C17H23NO3/c1-3-8-18-9-10-21-16-14-11-13(17(19)20-2)5-4-12(14)6-7-15(16)18/h4-5,11,15-16H,3,6-10H2,1-2H3/t15-,16-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413621
PNG
(CHEMBL482556)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3cc[nH]c(=O)c3cc21 |r|
Show InChI InChI=1S/C18H22N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h5-6,10-11,16-17H,2-4,7-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413623
PNG
(CHEMBL485325)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CCOC(=O)c3cc21 |r|
Show InChI InChI=1S/C18H23NO3/c1-2-6-19-7-9-21-17-14-11-15-13(5-8-22-18(15)20)10-12(14)3-4-16(17)19/h10-11,16-17H,2-9H2,1H3/t16-,17-/m1/s1
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1.48E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413627
PNG
(CHEMBL485029)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)N(C)C |r|
Show InChI InChI=1S/C18H26N2O2/c1-4-9-20-10-11-22-17-15-12-14(18(21)19(2)3)6-5-13(15)7-8-16(17)20/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-/m1/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413630
PNG
(CHEMBL485128)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3COC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H21NO3/c1-2-5-18-6-7-20-16-13-9-14-12(10-21-17(14)19)8-11(13)3-4-15(16)18/h8-9,15-16H,2-7,10H2,1H3/t15-,16-/m1/s1
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2.04E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413622
PNG
(CHEMBL519201)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CN(C)C(=O)c3cc21 |r|
Show InChI InChI=1S/C18H24N2O2/c1-3-6-20-7-8-22-17-14-10-15-13(11-19(2)18(15)21)9-12(14)4-5-16(17)20/h9-10,16-17H,3-8,11H2,1-2H3/t16-,17-/m1/s1
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2.19E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413625
PNG
(CHEMBL500627)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CCc1ccc(cc21)C(N)=O |r|
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413633
PNG
(CHEMBL485018)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)OCC |r|
Show InChI InChI=1S/C18H25NO3/c1-3-9-19-10-11-22-17-15-12-14(18(20)21-4-2)6-5-13(15)7-8-16(17)19/h5-6,12,16-17H,3-4,7-11H2,1-2H3/t16-,17-/m1/s1
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2.63E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413632
PNG
(CHEMBL485028)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-3-12-25-13-14-28-22-20-15-17(5-4-16(20)6-11-21(22)25)23(26)24-18-7-9-19(27-2)10-8-18/h4-5,7-10,15,21-22H,3,6,11-14H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
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2.75E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413619
PNG
(CHEMBL482978)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(C)=O |r|
Show InChI InChI=1S/C17H23NO2/c1-3-8-18-9-10-20-17-15-11-14(12(2)19)5-4-13(15)6-7-16(17)18/h4-5,11,16-17H,3,6-10H2,1-2H3/t16-,17-/m1/s1
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3.09E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413631
PNG
(CHEMBL482977)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(O)=O |r|
Show InChI InChI=1S/C16H21NO3/c1-2-7-17-8-9-20-15-13-10-12(16(18)19)4-3-11(13)5-6-14(15)17/h3-4,10,14-15H,2,5-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
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3.31E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413636
PNG
(CHEMBL485027)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)NCc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-12-26-13-14-29-23-21-15-19(7-6-18(21)8-11-22(23)26)24(27)25-16-17-4-9-20(28-2)10-5-17/h4-7,9-10,15,22-23H,3,8,11-14,16H2,1-2H3,(H,25,27)/t22-,23-/m1/s1
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3.39E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413620
PNG
(CHEMBL519688)
Show SMILES CCCCNC(=O)c1ccc2CC[C@@H]3[C@H](OCCN3CCC)c2c1 |r|
Show InChI InChI=1S/C20H30N2O2/c1-3-5-10-21-20(23)16-7-6-15-8-9-18-19(17(15)14-16)24-13-12-22(18)11-4-2/h6-7,14,18-19H,3-5,8-13H2,1-2H3,(H,21,23)/t18-,19-/m1/s1
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4.57E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413629
PNG
(CHEMBL484170)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)NC |r|
Show InChI InChI=1S/C17H24N2O2/c1-3-8-19-9-10-21-16-14-11-13(17(20)18-2)5-4-12(14)6-7-15(16)19/h4-5,11,15-16H,3,6-10H2,1-2H3,(H,18,20)/t15-,16-/m1/s1
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7.94E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413627
PNG
(CHEMBL485029)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)N(C)C |r|
Show InChI InChI=1S/C18H26N2O2/c1-4-9-20-10-11-22-17-15-12-14(18(21)19(2)3)6-5-13(15)7-8-16(17)20/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413620
PNG
(CHEMBL519688)
Show SMILES CCCCNC(=O)c1ccc2CC[C@@H]3[C@H](OCCN3CCC)c2c1 |r|
Show InChI InChI=1S/C20H30N2O2/c1-3-5-10-21-20(23)16-7-6-15-8-9-18-19(17(15)14-16)24-13-12-22(18)11-4-2/h6-7,14,18-19H,3-5,8-13H2,1-2H3,(H,21,23)/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413636
PNG
(CHEMBL485027)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)NCc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-12-26-13-14-29-23-21-15-19(7-6-18(21)8-11-22(23)26)24(27)25-16-17-4-9-20(28-2)10-5-17/h4-7,9-10,15,22-23H,3,8,11-14,16H2,1-2H3,(H,25,27)/t22-,23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413625
PNG
(CHEMBL500627)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CCc1ccc(cc21)C(N)=O |r|
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413631
PNG
(CHEMBL482977)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(O)=O |r|
Show InChI InChI=1S/C16H21NO3/c1-2-7-17-8-9-20-15-13-10-12(16(18)19)4-3-11(13)5-6-14(15)17/h3-4,10,14-15H,2,5-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413622
PNG
(CHEMBL519201)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CN(C)C(=O)c3cc21 |r|
Show InChI InChI=1S/C18H24N2O2/c1-3-6-20-7-8-22-17-14-10-15-13(11-19(2)18(15)21)9-12(14)4-5-16(17)20/h9-10,16-17H,3-8,11H2,1-2H3/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413629
PNG
(CHEMBL484170)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)NC |r|
Show InChI InChI=1S/C17H24N2O2/c1-3-8-19-9-10-21-16-14-11-13(17(20)18-2)5-4-12(14)6-7-15(16)19/h4-5,11,15-16H,3,6-10H2,1-2H3,(H,18,20)/t15-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413635
PNG
(CHEMBL485017)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)-c1nnn[nH]1 |r|
Show InChI InChI=1S/C16H21N5O/c1-2-7-21-8-9-22-15-13-10-12(16-17-19-20-18-16)4-3-11(13)5-6-14(15)21/h3-4,10,14-15H,2,5-9H2,1H3,(H,17,18,19,20)/t14-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413634
PNG
(CHEMBL485353)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)OC |r|
Show InChI InChI=1S/C17H23NO3/c1-3-8-18-9-10-21-16-14-11-13(17(19)20-2)5-4-12(14)6-7-15(16)18/h4-5,11,15-16H,3,6-10H2,1-2H3/t15-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413632
PNG
(CHEMBL485028)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-3-12-25-13-14-28-22-20-15-17(5-4-16(20)6-11-21(22)25)23(26)24-18-7-9-19(27-2)10-8-18/h4-5,7-10,15,21-22H,3,6,11-14H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413635
PNG
(CHEMBL485017)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)-c1nnn[nH]1 |r|
Show InChI InChI=1S/C16H21N5O/c1-2-7-21-8-9-22-15-13-10-12(16-17-19-20-18-16)4-3-11(13)5-6-14(15)21/h3-4,10,14-15H,2,5-9H2,1H3,(H,17,18,19,20)/t14-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413630
PNG
(CHEMBL485128)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3COC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H21NO3/c1-2-5-18-6-7-20-16-13-9-14-12(10-21-17(14)19)8-11(13)3-4-15(16)18/h8-9,15-16H,2-7,10H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 2.29n/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413624
PNG
(CHEMBL484732)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CCNC(=O)c3cc21 |r|
Show InChI InChI=1S/C18H24N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h10-11,16-17H,2-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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n/an/an/an/a 4.68n/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50413618
PNG
(CHEMBL484598)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m1/s1
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n/an/an/an/a 269n/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Activation of human dopamine D2 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50413618
PNG
(CHEMBL484598)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1cc3CNC(=O)c3cc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m1/s1
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n/an/an/an/a 1.41n/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86473
PNG
(S32504 (+))
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-2-7-18-8-9-20-15-13-10-12(16(17)19)4-3-11(13)5-6-14(15)18/h3-4,10,14-15H,2,5-9H2,1H3,(H2,17,19)/t14-,15-/m1/s1
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n/an/an/an/a 2.29n/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay


Bioorg Med Chem Lett 19: 2133-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.015
BindingDB Entry DOI: 10.7270/Q28W3FH9
More data for this
Ligand-Target Pair