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Compile Data Set for Download or QSAR

Found 174 hits Enz. Inhib. hit(s) with all data for entry = 50005155   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488624
PNG
(CHEMBL2298829)
Show SMILES COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C20H24N4O2S/c1-25-19-5-3-2-4-18(19)24-10-8-23(9-11-24)12-13-26-15-6-7-16-17(14-15)22-20(27)21-16/h2-7,14H,8-13H2,1H3,(H2,21,22,27)
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0.190n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488604
PNG
(CHEMBL2298822)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C21H26N4OS/c1-26-20-7-3-2-6-19(20)25-13-11-24(12-14-25)10-4-5-16-8-9-17-18(15-16)23-21(27)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H2,22,23,27)
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488618
PNG
(CHEMBL2298812)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-12H,13H2/q+1/p+1
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Article
0.510n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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Article
0.560n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488613
PNG
(CHEMBL2298827)
Show SMILES S=c1[nH]c2ccc(OCCN3CCN(CC3)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C19H22N4OS/c25-19-20-17-7-6-16(14-18(17)21-19)24-13-12-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H2,20,21,25)
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Article
0.670n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488640
PNG
(CHEMBL2299002)
Show SMILES COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C20H24N4O3/c1-26-19-5-3-2-4-18(19)24-10-8-23(9-11-24)12-13-27-15-6-7-16-17(14-15)22-20(25)21-16/h2-7,14H,8-13H2,1H3,(H2,21,22,25)
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Article
1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285667
PNG
(2-(4-{3-[4-(2-Propylsulfanyl-phenyl)-piperazin-1-y...)
Show SMILES CCCSc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C29H34N4OS/c1-2-22-35-28-11-6-5-10-27(28)33-19-17-32(18-20-33)16-7-21-34-24-14-12-23(13-15-24)29-30-25-8-3-4-9-26(25)31-29/h3-6,8-15H,2,7,16-22H2,1H3,(H,30,31)
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488621
PNG
(CHEMBL2298805)
Show SMILES COc1ccccc1N1CCN(CCOc2ccc3nn[nH]c3c2)CC1
Show InChI InChI=1S/C19H23N5O2/c1-25-19-5-3-2-4-18(19)24-10-8-23(9-11-24)12-13-26-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22)
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Article
1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285661
PNG
(2-{4-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-phenyl}...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-2-7-22(8-3-1)30-18-16-29(17-19-30)15-6-20-31-23-13-11-21(12-14-23)26-27-24-9-4-5-10-25(24)28-26/h1-5,7-14H,6,15-20H2,(H,27,28)
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488611
PNG
(CHEMBL2298806)
Show SMILES C(Cc1ccc2[nH]cnc2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N4/c1-2-6-20-19(4-1)5-3-7-23(20)27-14-12-26(13-15-27)11-10-18-8-9-21-22(16-18)25-17-24-21/h1-9,16-17H,10-15H2,(H,24,25)
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Article
1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50488614
PNG
(CHEMBL2298810)
Show SMILES Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H15ClN3/c20-17-6-7-18-16(8-9-21-18)19(17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-13H,14H2/q+1/p+1
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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50488601
PNG
(CHEMBL2298809)
Show SMILES Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12
Show InChI InChI=1S/C19H15BrN3/c20-17-6-7-18(16-8-9-21-19(16)17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-13H,14H2/q+1/p+1
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488629
PNG
(CHEMBL2298832)
Show SMILES Clc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C19H21ClN4OS/c20-15-3-1-2-4-18(15)24-9-7-23(8-10-24)11-12-25-14-5-6-16-17(13-14)22-19(26)21-16/h1-6,13H,7-12H2,(H2,21,22,26)
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Article
2.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50488618
PNG
(CHEMBL2298812)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-12H,13H2/q+1/p+1
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Article
2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2C receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488639
PNG
(CHEMBL2298818)
Show SMILES S=c1[nH]c2ccc(CCCN3CCN(CC3)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C20H24N4S/c25-20-21-18-9-8-16(15-19(18)22-20)5-4-10-23-11-13-24(14-12-23)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2,(H2,21,22,25)
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Article
3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488615
PNG
(CHEMBL2298808)
Show SMILES C(c1ccccc1)[n+]1cc[n+](cc1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C19H16N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-14H,15H2/q+1/p+1
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Article
3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488618
PNG
(CHEMBL2298812)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-12H,13H2/q+1/p+1
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3.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from low affinity antagonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488618
PNG
(CHEMBL2298812)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-12H,13H2/q+1/p+1
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4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D2S receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071854
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-benzoimida...)
Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1
Show InChI InChI=1S/C18H20N4O/c23-18-19-15-7-4-8-16(17(15)20-18)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,19,20,23)
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4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409937
PNG
(CHEMBL184770)
Show SMILES Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C20H25N5/c1-15-4-3-5-20(16(15)2)25-12-10-24(11-13-25)9-8-17-6-7-18-19(14-17)22-23-21-18/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
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Article
5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50488635
PNG
(CHEMBL2298799)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ccccc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H20N4O4/c23-21(24)17-7-6-15(14-18(17)22(25)26)8-9-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-7,14H,8-13H2
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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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Article
5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D3 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488600
PNG
(CHEMBL183776)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C19H23N5O/c1-25-19-5-3-2-4-18(19)24-12-10-23(11-13-24)9-8-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22)
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Article
5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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Article
5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488612
PNG
(CHEMBL2298819)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C21H23F3N4S/c22-21(23,24)16-4-1-5-17(14-16)28-11-9-27(10-12-28)8-2-3-15-6-7-18-19(13-15)26-20(29)25-18/h1,4-7,13-14H,2-3,8-12H2,(H2,25,26,29)
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Article
5.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488641
PNG
(CHEMBL2298828)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C20H21F3N4OS/c21-20(22,23)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-28-16-4-5-17-18(13-16)25-19(29)24-17/h1-5,12-13H,6-11H2,(H2,24,25,29)
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Article
5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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6.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488633
PNG
(CHEMBL2298833)
Show SMILES Clc1cccc(c1)N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C19H21ClN4OS/c20-14-2-1-3-15(12-14)24-8-6-23(7-9-24)10-11-25-16-4-5-17-18(13-16)22-19(26)21-17/h1-5,12-13H,6-11H2,(H2,21,22,26)
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Article
7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488623
PNG
(CHEMBL2299000)
Show SMILES O=c1[nH]c2ccc(OCCN3CCN(CC3)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C19H22N4O2/c24-19-20-17-7-6-16(14-18(17)21-19)25-13-12-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H2,20,21,24)
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285665
PNG
(2-{4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-p...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H27N5O/c1-2-7-23-22(6-1)27-25(28-23)20-9-11-21(12-10-20)31-19-5-14-29-15-17-30(18-16-29)24-8-3-4-13-26-24/h1-4,6-13H,5,14-19H2,(H,27,28)
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Article
8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50285667
PNG
(2-(4-{3-[4-(2-Propylsulfanyl-phenyl)-piperazin-1-y...)
Show SMILES CCCSc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C29H34N4OS/c1-2-22-35-28-11-6-5-10-27(28)33-19-17-32(18-20-33)16-7-21-34-24-14-12-23(13-15-24)29-30-25-8-3-4-9-26(25)31-29/h3-6,8-15H,2,7,16-22H2,1H3,(H,30,31)
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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Article
8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D2S receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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Article
8.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from low affinity antagonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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8.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071859
PNG
(4-(4-Benzyl-piperazin-1-yl)-5-chloro-1,3-dihydro-i...)
Show SMILES Clc1ccc2NC(=O)Cc2c1N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20ClN3O/c20-16-6-7-17-15(12-18(24)21-17)19(16)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,21,24)
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8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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Article
8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488614
PNG
(CHEMBL2298810)
Show SMILES Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C19H15ClN3/c20-17-6-7-18-16(8-9-21-18)19(17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-13H,14H2/q+1/p+1
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Article
9.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488636
PNG
(CHEMBL2298811)
Show SMILES C(c1ccccc1)[n+]1cc[n+](cc1)-c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H15N4/c1-2-5-15(6-3-1)13-21-9-11-22(12-10-21)17-8-4-7-16-18(17)20-14-19-16/h1-12,14H,13H2/q+1/p+1
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Article
9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409935
PNG
(CHEMBL363124)
Show SMILES C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25)
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Article
10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50488601
PNG
(CHEMBL2298809)
Show SMILES Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12
Show InChI InChI=1S/C19H15BrN3/c20-17-6-7-18(16-8-9-21-19(16)17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-13H,14H2/q+1/p+1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from low affinity antagonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488627
PNG
(CHEMBL2298824)
Show SMILES COc1ccccc1N1CCN(CCOc2ccc3nc[nH]c3c2)CC1
Show InChI InChI=1S/C20H24N4O2/c1-25-20-5-3-2-4-19(20)24-10-8-23(9-11-24)12-13-26-16-6-7-17-18(14-16)22-15-21-17/h2-7,14-15H,8-13H2,1H3,(H,21,22)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50488609
PNG
(CHEMBL2298830)
Show SMILES COc1cccc(c1)N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
Show InChI InChI=1S/C20H24N4O2S/c1-25-16-4-2-3-15(13-16)24-9-7-23(8-10-24)11-12-26-17-5-6-18-19(14-17)22-20(27)21-18/h2-6,13-14H,7-12H2,1H3,(H2,21,22,27)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50409937
PNG
(CHEMBL184770)
Show SMILES Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C20H25N5/c1-15-4-3-5-20(16(15)2)25-12-10-24(11-13-25)9-8-17-6-7-18-19(14-17)22-23-21-18/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
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Similars

Article
14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2C receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071854
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-benzoimida...)
Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1
Show InChI InChI=1S/C18H20N4O/c23-18-19-15-7-4-8-16(17(15)20-18)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,19,20,23)
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Article
14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50488615
PNG
(CHEMBL2298808)
Show SMILES C(c1ccccc1)[n+]1cc[n+](cc1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C19H16N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-14H,15H2/q+1/p+1
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
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