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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'd''alessandro' and Initial = 'p'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415284
PNG
(CHEMBL605831)
Show SMILES Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415281
PNG
(CHEMBL593744)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343298
PNG
(1-Methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-ben...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343299
PNG
(2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415283
PNG
(CHEMBL608103)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415281
PNG
(CHEMBL593744)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415285
PNG
(CHEMBL596527)
Show SMILES Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343299
PNG
(2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50343298
PNG
(1-Methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-ben...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343298
PNG
(1-Methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-ben...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415282
PNG
(CHEMBL604993)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-8-3-2-7-18(19)25-20(26)14-27-11-9-15(10-12-27)16-5-4-6-17(13-16)21(22,23)24/h2-8,13,15H,9-12,14H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM71863
PNG
(2-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1-met...)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50343306
PNG
(1-methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415285
PNG
(CHEMBL596527)
Show SMILES Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415268
PNG
(CHEMBL595607)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2F)nc2ccccc12
Show InChI InChI=1S/C19H20ClFN4/c1-23-18-5-3-2-4-16(18)22-19(23)13-24-8-10-25(11-9-24)17-7-6-14(20)12-15(17)21/h2-7,12H,8-11,13H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415282
PNG
(CHEMBL604993)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-8-3-2-7-18(19)25-20(26)14-27-11-9-15(10-12-27)16-5-4-6-17(13-16)21(22,23)24/h2-8,13,15H,9-12,14H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343306
PNG
(1-methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415283
PNG
(CHEMBL608103)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415281
PNG
(CHEMBL593744)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415269
PNG
(CHEMBL595608)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H21F3N4/c1-25-18-5-3-2-4-17(18)24-19(25)14-26-10-12-27(13-11-26)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415284
PNG
(CHEMBL605831)
Show SMILES Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343307
PNG
(1-methyl-2-((4-(2-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-9-5-4-8-18(19)25-20(26)14-27-12-10-15(11-13-27)16-6-2-3-7-17(16)21(22,23)24/h2-9,15H,10-14H2,1H3
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415290
PNG
(CHEMBL603443)
Show SMILES Cn1c(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415291
PNG
(CHEMBL605836 | GSK-1331258)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415270
PNG
(CHEMBL595609)
Show SMILES Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C20H21N5S/c1-23-17-8-4-2-6-15(17)21-19(23)14-24-10-12-25(13-11-24)20-22-16-7-3-5-9-18(16)26-20/h2-9H,10-14H2,1H3
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415286
PNG
(CHEMBL593056)
Show SMILES Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H20ClF3N4/c1-27-17-5-3-2-4-16(17)26-18(27)12-28-8-6-13(7-9-28)19-15(21)10-14(11-25-19)20(22,23)24/h2-5,10-11,13H,6-9,12H2,1H3
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415271
PNG
(CHEMBL595151)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415283
PNG
(CHEMBL608103)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415286
PNG
(CHEMBL593056)
Show SMILES Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H20ClF3N4/c1-27-17-5-3-2-4-16(17)26-18(27)12-28-8-6-13(7-9-28)19-15(21)10-14(11-25-19)20(22,23)24/h2-5,10-11,13H,6-9,12H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415286
PNG
(CHEMBL593056)
Show SMILES Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H20ClF3N4/c1-27-17-5-3-2-4-16(17)26-18(27)12-28-8-6-13(7-9-28)19-15(21)10-14(11-25-19)20(22,23)24/h2-5,10-11,13H,6-9,12H2,1H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50415292
PNG
(CHEMBL595759 | GSK-1331268)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
Show InChI InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343307
PNG
(1-methyl-2-((4-(2-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-9-5-4-8-18(19)25-20(26)14-27-12-10-15(11-13-27)16-6-2-3-7-17(16)21(22,23)24/h2-9,15H,10-14H2,1H3
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>3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415285
PNG
(CHEMBL596527)
Show SMILES Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415291
PNG
(CHEMBL605836 | GSK-1331258)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415291
PNG
(CHEMBL605836 | GSK-1331258)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415292
PNG
(CHEMBL595759 | GSK-1331268)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
Show InChI InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM71863
PNG
(2-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1-met...)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415284
PNG
(CHEMBL605831)
Show SMILES Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343306
PNG
(1-methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415282
PNG
(CHEMBL604993)
Show SMILES Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-8-3-2-7-18(19)25-20(26)14-27-11-9-15(10-12-27)16-5-4-6-17(13-16)21(22,23)24/h2-8,13,15H,9-12,14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415271
PNG
(CHEMBL595151)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415270
PNG
(CHEMBL595609)
Show SMILES Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C20H21N5S/c1-23-17-8-4-2-6-15(17)21-19(23)14-24-10-12-25(13-11-24)20-22-16-7-3-5-9-18(16)26-20/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415292
PNG
(CHEMBL595759 | GSK-1331268)
Show SMILES Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
Show InChI InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM71863
PNG
(2-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1-met...)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50415269
PNG
(CHEMBL595608)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H21F3N4/c1-25-18-5-3-2-4-17(18)24-19(25)14-26-10-12-27(13-11-26)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415271
PNG
(CHEMBL595151)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415270
PNG
(CHEMBL595609)
Show SMILES Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C20H21N5S/c1-23-17-8-4-2-6-15(17)21-19(23)14-24-10-12-25(13-11-24)20-22-16-7-3-5-9-18(16)26-20/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50415269
PNG
(CHEMBL595608)
Show SMILES Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C20H21F3N4/c1-25-18-5-3-2-4-17(18)24-19(25)14-26-10-12-27(13-11-26)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 759-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.032
BindingDB Entry DOI: 10.7270/Q2CC11XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50483163
PNG
(CHEMBL1630067)
Show SMILES CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1cccs1
Show InChI InChI=1S/C18H16N4O3S/c1-11-15(12(2)24-18(23)19-13-7-4-3-5-8-13)25-17-20-16(21-22(11)17)14-9-6-10-26-14/h3-10,12H,1-2H3,(H,19,23)
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n/an/a 7.90n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization


Bioorg Med Chem Lett 20: 7521-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50483151
PNG
(CHEMBL1630068)
Show SMILES CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O3/c1-12-17(13(2)27-20(26)22-16-6-4-3-5-7-16)28-19-23-18(24-25(12)19)14-8-10-15(21)11-9-14/h3-11,13H,1-2H3,(H,22,26)
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n/an/a 10n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization


Bioorg Med Chem Lett 20: 7521-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D
More data for this
Ligand-Target Pair
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