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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50017633   
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))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184793
PNG
(1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-19-7-3-2-6-18(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-8-4-5-9-21-20/h2-9,14,16H,10-13,15H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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0.590n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184804
PNG
(1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-19-8-4-5-9-20(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2
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0.700n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184806
PNG
(1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(17-25(22-18)21-10-6-3-7-11-21)16-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,17H,12-16H2,1H3
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184800
PNG
(1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piper...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184799
PNG
(1-phenyl-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)meth...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccn1
Show InChI InChI=1S/C19H21N5/c1-2-6-18(7-3-1)23-12-10-22(11-13-23)15-17-14-21-24(16-17)19-8-4-5-9-20-19/h1-9,14,16H,10-13,15H2
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2.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184805
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-...)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)15-17-16-25(22-21-17)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184797
PNG
(1-(4-Fluorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
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2.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184794
PNG
(1-(4-Chlorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21ClN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
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2.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184802
PNG
(4-phenyl-1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cn(nn1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N4/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)15-19-16-24(22-21-19)20-9-5-2-6-10-20/h1-11,16H,12-15H2
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3.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184796
PNG
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY100635 from 5HT1A receptor in porcine striatal membrane


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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8n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184803
PNG
(1-Phenyl-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C19H21N5/c1-3-7-18(8-4-1)23-13-11-22(12-14-23)15-17-16-24(21-20-17)19-9-5-2-6-10-19/h1-10,16H,11-15H2
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9.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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11n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184798
PNG
(1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine |...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C20H22N4/c1-2-5-19(6-3-1)23-15-13-22(14-16-23)17-18-7-9-20(10-8-18)24-12-4-11-21-24/h1-12H,13-17H2
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20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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28n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184793
PNG
(1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-19-7-3-2-6-18(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-8-4-5-9-21-20/h2-9,14,16H,10-13,15H2,1H3
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31n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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33n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184795
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
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35n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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37n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY100635 from 5HT1A receptor in porcine striatal membrane


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184804
PNG
(1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-19-8-4-5-9-20(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2
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37n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184792
PNG
(4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
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38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184793
PNG
(1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-19-7-3-2-6-18(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-8-4-5-9-21-20/h2-9,14,16H,10-13,15H2,1H3
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40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184806
PNG
(1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(17-25(22-18)21-10-6-3-7-11-21)16-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,17H,12-16H2,1H3
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43n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184804
PNG
(1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-19-8-4-5-9-20(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2
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63n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184805
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-...)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)15-17-16-25(22-21-17)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
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65n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184804
PNG
(1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-19-8-4-5-9-20(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)18-6-2-1-3-7-18/h1-9,14,16H,10-13,15H2
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67n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184806
PNG
(1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(17-25(22-18)21-10-6-3-7-11-21)16-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,17H,12-16H2,1H3
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71n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184793
PNG
(1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-19-7-3-2-6-18(19)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-8-4-5-9-21-20/h2-9,14,16H,10-13,15H2,1H3
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72n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184800
PNG
(1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piper...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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75n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184802
PNG
(4-phenyl-1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cn(nn1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N4/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)15-19-16-24(22-21-19)20-9-5-2-6-10-20/h1-11,16H,12-15H2
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94n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184802
PNG
(4-phenyl-1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cn(nn1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N4/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)15-19-16-24(22-21-19)20-9-5-2-6-10-20/h1-11,16H,12-15H2
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110n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184805
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-...)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)15-17-16-25(22-21-17)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
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120n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184800
PNG
(1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piper...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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140n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184800
PNG
(1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piper...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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140n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184799
PNG
(1-phenyl-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)meth...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccn1
Show InChI InChI=1S/C19H21N5/c1-2-6-18(7-3-1)23-12-10-22(11-13-23)15-17-14-21-24(16-17)19-8-4-5-9-20-19/h1-9,14,16H,10-13,15H2
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160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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170n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184799
PNG
(1-phenyl-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)meth...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccn1
Show InChI InChI=1S/C19H21N5/c1-2-6-18(7-3-1)23-12-10-22(11-13-23)15-17-14-21-24(16-17)19-8-4-5-9-20-19/h1-9,14,16H,10-13,15H2
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190n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184802
PNG
(4-phenyl-1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl...)
Show SMILES C(N1CCC(=CC1)c1ccccc1)c1cn(nn1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N4/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)15-19-16-24(22-21-19)20-9-5-2-6-10-20/h1-11,16H,12-15H2
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220n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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230n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184796
PNG
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3
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250n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50184801
PNG
(2-(4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazin-1...)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-17(6-3-1)24-15-16(13-21-24)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8,13,15H,9-12,14H2
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310n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184796
PNG
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3
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320n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184805
PNG
(1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-...)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H23N5O/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)15-17-16-25(22-21-17)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
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340n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184799
PNG
(1-phenyl-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)meth...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccn1
Show InChI InChI=1S/C19H21N5/c1-2-6-18(7-3-1)23-12-10-22(11-13-23)15-17-14-21-24(16-17)19-8-4-5-9-20-19/h1-9,14,16H,10-13,15H2
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340n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184806
PNG
(1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)
Show SMILES Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-18-19(17-25(22-18)21-10-6-3-7-11-21)16-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,17H,12-16H2,1H3
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360n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184797
PNG
(1-(4-Fluorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)me...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
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400n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2955-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.075
BindingDB Entry DOI: 10.7270/Q21N80QX
More data for this
Ligand-Target Pair
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