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Compile Data Set for Download or QSAR

Found 143 hits Enz. Inhib. hit(s) with all data for entry = 50041737   
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


(Rattus norvegicus (Rat))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor in rat native tissue by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414436
PNG
(CHEMBL560574)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
Show InChI InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414435
PNG
(CHEMBL569846)
Show SMILES Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-6-21(7-5-13)8-9-22-10-11-23(16(22)25)14-2-1-3-15(24)12-14/h1-3,12-13,24H,4-11H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414406
PNG
(CHEMBL561512)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19Cl2N3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414437
PNG
(CHEMBL562624)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H21ClF3N3O/c18-14-2-1-3-15(12-14)24-11-10-23(16(24)25)9-8-22-6-4-13(5-7-22)17(19,20)21/h1-3,12-13H,4-11H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414413
PNG
(CHEMBL556272)
Show SMILES Fc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414409
PNG
(CHEMBL565017)
Show SMILES FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)28-18-7-3-6-17(12-18)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414412
PNG
(CHEMBL559856)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414404
PNG
(CHEMBL559029)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414434
PNG
(CHEMBL551914)
Show SMILES CC1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414403
PNG
(CHEMBL560177)
Show SMILES Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414443
PNG
(CHEMBL549894)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414442
PNG
(CHEMBL571456)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C19H27N5O/c1-16(2)22-9-6-21(7-10-22)8-11-23-12-13-24(19(23)25)18-5-3-4-17(14-18)15-20/h3-5,14,16H,6-13H2,1-2H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414438
PNG
(CHEMBL559919)
Show SMILES FC(F)(F)Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C18H21F6N3O2/c19-17(20,21)13-4-6-25(7-5-13)8-9-26-10-11-27(16(26)28)14-2-1-3-15(12-14)29-18(22,23)24/h1-3,12-13H,4-11H2
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414432
PNG
(CHEMBL552371)
Show SMILES CC1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C17H24ClN3O/c1-14-4-3-7-19(13-14)8-9-20-10-11-21(17(20)22)16-6-2-5-15(18)12-16/h2,5-6,12,14H,3-4,7-11,13H2,1H3
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414405
PNG
(CHEMBL540241)
Show SMILES CC(C)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C22H27N3O/c1-17(2)18-8-5-9-21(14-18)25-13-12-24(22(25)26)11-10-23-15-19-6-3-4-7-20(19)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414406
PNG
(CHEMBL561512)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19Cl2N3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414414
PNG
(CHEMBL565031)
Show SMILES Fc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19ClFN3O/c20-16-5-6-17(21)18(11-16)24-10-9-23(19(24)25)8-7-22-12-14-3-1-2-4-15(14)13-22/h1-6,11H,7-10,12-13H2
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414439
PNG
(CHEMBL554073)
Show SMILES Fc1ccc(cc1C#N)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C18H20F4N4O/c19-16-2-1-15(11-13(16)12-23)26-10-9-25(17(26)27)8-7-24-5-3-14(4-6-24)18(20,21)22/h1-2,11,14H,3-10H2
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414401
PNG
(CHEMBL560715)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C18H27ClN4O/c1-15(2)21-9-6-20(7-10-21)8-11-22-12-13-23(18(22)24)17-5-3-4-16(19)14-17/h3-5,14-15H,6-13H2,1-2H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414433
PNG
(CHEMBL561054)
Show SMILES CC1CCCCN1CCN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414440
PNG
(CHEMBL559920)
Show SMILES COc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C18H24F3N3O2/c1-26-16-4-2-3-15(13-16)24-12-11-23(17(24)25)10-9-22-7-5-14(6-8-22)18(19,20)21/h2-4,13-14H,5-12H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414408
PNG
(CHEMBL550502)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19Cl2N3O/c20-17-6-5-16(11-18(17)21)24-10-9-23(19(24)25)8-7-22-12-14-3-1-2-4-15(14)13-22/h1-6,11H,7-10,12-13H2
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414426
PNG
(CHEMBL552366)
Show SMILES FC(F)(F)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
Show InChI InChI=1S/C21H22F3N3O/c22-21(23,24)19-7-3-4-16(12-19)13-27-11-10-26(20(27)28)9-8-25-14-17-5-1-2-6-18(17)15-25/h1-7,12H,8-11,13-15H2
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414436
PNG
(CHEMBL560574)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
Show InChI InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414434
PNG
(CHEMBL551914)
Show SMILES CC1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414407
PNG
(CHEMBL562176)
Show SMILES Fc1ccc(cc1C#N)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H19FN4O/c21-19-6-5-18(11-17(19)12-22)25-10-9-24(20(25)26)8-7-23-13-15-3-1-2-4-16(15)14-23/h1-6,11H,7-10,13-14H2
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414410
PNG
(CHEMBL562983)
Show SMILES Fc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19ClFN3O/c20-17-11-16(5-6-18(17)21)24-10-9-23(19(24)25)8-7-22-12-14-3-1-2-4-15(14)13-22/h1-6,11H,7-10,12-13H2
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414432
PNG
(CHEMBL552371)
Show SMILES CC1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C17H24ClN3O/c1-14-4-3-7-19(13-14)8-9-20-10-11-21(17(20)22)16-6-2-5-15(18)12-16/h2,5-6,12,14H,3-4,7-11,13H2,1H3
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414433
PNG
(CHEMBL561054)
Show SMILES CC1CCCCN1CCN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414413
PNG
(CHEMBL556272)
Show SMILES Fc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414409
PNG
(CHEMBL565017)
Show SMILES FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)28-18-7-3-6-17(12-18)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414435
PNG
(CHEMBL569846)
Show SMILES Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-6-21(7-5-13)8-9-22-10-11-23(16(22)25)14-2-1-3-15(24)12-14/h1-3,12-13,24H,4-11H2
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414411
PNG
(CHEMBL559386)
Show SMILES CC(C)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C22H27N3O2/c1-17(2)27-21-9-5-8-20(14-21)25-13-12-24(22(25)26)11-10-23-15-18-6-3-4-7-19(18)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414441
PNG
(CHEMBL550849)
Show SMILES Fc1c(Cl)cccc1N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H20ClF4N3O/c18-13-2-1-3-14(15(13)19)25-11-10-24(16(25)26)9-8-23-6-4-12(5-7-23)17(20,21)22/h1-3,12H,4-11H2
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414404
PNG
(CHEMBL559029)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414416
PNG
(CHEMBL556478)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1
Show InChI InChI=1S/C21H21N3OS/c25-21-23(9-8-22-14-17-3-1-2-4-18(17)15-22)10-11-24(21)19-5-6-20-16(13-19)7-12-26-20/h1-7,12-13H,8-11,14-15H2
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414422
PNG
(CHEMBL564477)
Show SMILES Cc1ccc(cn1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H22N4O/c1-15-6-7-18(12-20-15)23-11-10-22(19(23)24)9-8-21-13-16-4-2-3-5-17(16)14-21/h2-7,12H,8-11,13-14H2,1H3
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414405
PNG
(CHEMBL540241)
Show SMILES CC(C)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C22H27N3O/c1-17(2)18-8-5-9-21(14-18)25-13-12-24(22(25)26)11-10-23-15-19-6-3-4-7-20(19)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414427
PNG
(CHEMBL560650)
Show SMILES Clc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O/c21-18-6-5-15(11-19(18)22)12-25-10-9-24(20(25)26)8-7-23-13-16-3-1-2-4-17(16)14-23/h1-6,11H,7-10,12-14H2
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414437
PNG
(CHEMBL562624)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H21ClF3N3O/c18-14-2-1-3-15(12-14)24-11-10-23(16(24)25)9-8-22-6-4-13(5-7-22)17(19,20)21/h1-3,12-13H,4-11H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414415
PNG
(CHEMBL564298)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C23H29N3O/c1-23(2,3)20-8-10-21(11-9-20)26-15-14-25(22(26)27)13-12-24-16-18-6-4-5-7-19(18)17-24/h4-11H,12-17H2,1-3H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414412
PNG
(CHEMBL559856)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414403
PNG
(CHEMBL560177)
Show SMILES Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414419
PNG
(CHEMBL563247)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12
Show InChI InChI=1S/C21H21N3OS/c25-21-23(10-9-22-13-16-5-1-2-6-17(16)14-22)11-12-24(21)19-15-26-20-8-4-3-7-18(19)20/h1-8,15H,9-14H2
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414444
PNG
(CHEMBL564108)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1S/C19H26FN5O/c1-15(2)23-8-5-22(6-9-23)7-10-24-11-12-25(19(24)26)17-3-4-18(20)16(13-17)14-21/h3-4,13,15H,5-12H2,1-2H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414420
PNG
(CHEMBL559004)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1
Show InChI InChI=1S/C21H21N3O2/c25-21-23(9-8-22-14-17-3-1-2-4-18(17)15-22)10-11-24(21)19-5-6-20-16(13-19)7-12-26-20/h1-7,12-13H,8-11,14-15H2
PDB

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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
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