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PubMed code 26723530

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142788
PNG
(CHEMBL3759491)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-9-5-8-23(19-24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142790
PNG
(CHEMBL3759441)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
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0.5n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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0.670n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142783
PNG
(CHEMBL218203)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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0.700n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142758
PNG
(CHEMBL3758881)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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0.730n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142754
PNG
(CHEMBL26962)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C22H35N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3,(H,23,26)
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0.900n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142787
PNG
(CHEMBL3758711)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28F3N3O/c27-26(28,29)23-8-5-9-24(19-23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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1.10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122042
PNG
(CHEMBL154508 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)
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1.10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142776
PNG
(CHEMBL3759607)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28FN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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1.20n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142786
PNG
(CHEMBL3758741)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C
Show InChI InChI=1S/C27H33N3O/c1-21-8-7-11-26(22(21)2)30-18-16-29(17-19-30)15-6-5-14-28-27(31)25-13-12-23-9-3-4-10-24(23)20-25/h3-4,7-13,20H,5-6,14-19H2,1-2H3,(H,28,31)
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1.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142794
PNG
(CHEMBL3758991)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C22H29ClN4O2/c1-29-21-10-3-2-9-20(21)27-15-13-26(14-16-27)12-5-4-11-24-22(28)25-19-8-6-7-18(23)17-19/h2-3,6-10,17H,4-5,11-16H2,1H3,(H2,24,25,28)
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1.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142789
PNG
(CHEMBL3759865)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]ccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c32-27(23-11-10-21-6-1-2-7-22(21)20-23)29-13-3-4-15-30-16-18-31(19-17-30)26-9-5-8-25-24(26)12-14-28-25/h1-2,5-12,14,20,28H,3-4,13,15-19H2,(H,29,32)
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1.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142792
PNG
(CHEMBL3758610)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N4O3S/c1-34(32,33)28-24-9-6-10-25(20-24)30-17-15-29(16-18-30)14-5-4-13-27-26(31)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19-20,28H,4-5,13-18H2,1H3,(H,27,31)
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1.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142753
PNG
(CHEMBL3760063)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)
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1.80n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142755
PNG
(CHEMBL3758913)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H37N3O2/c1-28-22-12-6-5-11-21(22)26-17-15-25(16-18-26)14-8-7-13-24-23(27)19-20-9-3-2-4-10-20/h5-6,11-12,20H,2-4,7-10,13-19H2,1H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142791
PNG
(CHEMBL3760110)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]c(=O)[nH]c12)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O2/c32-25(21-11-10-19-6-1-2-7-20(19)18-21)27-12-3-4-13-30-14-16-31(17-15-30)23-9-5-8-22-24(23)29-26(33)28-22/h1-2,5-11,18H,3-4,12-17H2,(H,27,32)(H2,28,29,33)
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3.5n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142793
PNG
(CHEMBL3758665)
Show SMILES CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-2-35-28(34)30-25-10-7-11-26(21-25)32-18-16-31(17-19-32)15-6-5-14-29-27(33)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,29,33)(H,30,34)
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3.90n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142784
PNG
(CHEMBL3759513)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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4.70n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142794
PNG
(CHEMBL3758991)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C22H29ClN4O2/c1-29-21-10-3-2-9-20(21)27-15-13-26(14-16-27)12-5-4-11-24-22(28)25-19-8-6-7-18(23)17-19/h2-3,6-10,17H,4-5,11-16H2,1H3,(H2,24,25,28)
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5n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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9.20n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142757
PNG
(CHEMBL3758368)
Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3
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10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142785
PNG
(CHEMBL3758920)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-11-24(12-10-23)29-17-15-28(16-18-29)14-4-3-13-27-25(30)22-8-7-20-5-1-2-6-21(20)19-22/h1-2,5-12,19H,3-4,13-18H2,(H,27,30)
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10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142795
PNG
(CHEMBL3759312)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1
Show InChI InChI=1S/C23H32N4O2/c1-25(20-10-4-3-5-11-20)23(28)24-14-8-9-15-26-16-18-27(19-17-26)21-12-6-7-13-22(21)29-2/h3-7,10-13H,8-9,14-19H2,1-2H3,(H,24,28)
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12n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142794
PNG
(CHEMBL3758991)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C22H29ClN4O2/c1-29-21-10-3-2-9-20(21)27-15-13-26(14-16-27)12-5-4-11-24-22(28)25-19-8-6-7-18(23)17-19/h2-3,6-10,17H,4-5,11-16H2,1H3,(H2,24,25,28)
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13n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142760
PNG
(CHEMBL3758330)
Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30)
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13n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142789
PNG
(CHEMBL3759865)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]ccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c32-27(23-11-10-21-6-1-2-7-22(21)20-23)29-13-3-4-15-30-16-18-31(19-17-30)26-9-5-8-25-24(26)12-14-28-25/h1-2,5-12,14,20,28H,3-4,13,15-19H2,(H,29,32)
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19n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142758
PNG
(CHEMBL3758881)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142783
PNG
(CHEMBL218203)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142757
PNG
(CHEMBL3758368)
Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3
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34n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142776
PNG
(CHEMBL3759607)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28FN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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39n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142760
PNG
(CHEMBL3758330)
Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30)
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47n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142784
PNG
(CHEMBL3759513)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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50n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142790
PNG
(CHEMBL3759441)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
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52n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142792
PNG
(CHEMBL3758610)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N4O3S/c1-34(32,33)28-24-9-6-10-25(20-24)30-17-15-29(16-18-30)14-5-4-13-27-26(31)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19-20,28H,4-5,13-18H2,1H3,(H,27,31)
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55n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142755
PNG
(CHEMBL3758913)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H37N3O2/c1-28-22-12-6-5-11-21(22)26-17-15-25(16-18-26)14-8-7-13-24-23(27)19-20-9-3-2-4-10-20/h5-6,11-12,20H,2-4,7-10,13-19H2,1H3,(H,24,27)
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66n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142753
PNG
(CHEMBL3760063)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)
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81n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142757
PNG
(CHEMBL3758368)
Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3
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87n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142789
PNG
(CHEMBL3759865)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]ccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c32-27(23-11-10-21-6-1-2-7-22(21)20-23)29-13-3-4-15-30-16-18-31(19-17-30)26-9-5-8-25-24(26)12-14-28-25/h1-2,5-12,14,20,28H,3-4,13,15-19H2,(H,29,32)
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95n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50122042
PNG
(CHEMBL154508 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)
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104n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142795
PNG
(CHEMBL3759312)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1
Show InChI InChI=1S/C23H32N4O2/c1-25(20-10-4-3-5-11-20)23(28)24-14-8-9-15-26-16-18-27(19-17-26)21-12-6-7-13-22(21)29-2/h3-7,10-13H,8-9,14-19H2,1-2H3,(H,24,28)
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116n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142756
PNG
(CHEMBL3758403)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-17(2)16-20(24)21-10-6-7-11-22-12-14-23(15-13-22)18-8-4-5-9-19(18)25-3/h4-5,8-9,17H,6-7,10-16H2,1-3H3,(H,21,24)
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123n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142791
PNG
(CHEMBL3760110)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]c(=O)[nH]c12)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O2/c32-25(21-11-10-19-6-1-2-7-20(19)18-21)27-12-3-4-13-30-14-16-31(17-15-30)23-9-5-8-22-24(23)29-26(33)28-22/h1-2,5-11,18H,3-4,12-17H2,(H,27,32)(H2,28,29,33)
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131n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142791
PNG
(CHEMBL3760110)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]c(=O)[nH]c12)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O2/c32-25(21-11-10-19-6-1-2-7-20(19)18-21)27-12-3-4-13-30-14-16-31(17-15-30)23-9-5-8-22-24(23)29-26(33)28-22/h1-2,5-11,18H,3-4,12-17H2,(H,27,32)(H2,28,29,33)
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158n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142792
PNG
(CHEMBL3758610)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H32N4O3S/c1-34(32,33)28-24-9-6-10-25(20-24)30-17-15-29(16-18-30)14-5-4-13-27-26(31)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19-20,28H,4-5,13-18H2,1H3,(H,27,31)
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160n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142785
PNG
(CHEMBL3758920)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-11-24(12-10-23)29-17-15-28(16-18-29)14-4-3-13-27-25(30)22-8-7-20-5-1-2-6-21(20)19-22/h1-2,5-12,19H,3-4,13-18H2,(H,27,30)
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166n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142754
PNG
(CHEMBL26962)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C22H35N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3,(H,23,26)
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168n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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186n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142790
PNG
(CHEMBL3759441)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
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211n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142786
PNG
(CHEMBL3758741)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C
Show InChI InChI=1S/C27H33N3O/c1-21-8-7-11-26(22(21)2)30-18-16-29(17-19-30)15-6-5-14-28-27(31)25-13-12-23-9-3-4-10-24(23)20-25/h3-4,7-13,20H,5-6,14-19H2,1-2H3,(H,28,31)
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230n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142783
PNG
(CHEMBL218203)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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238n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142787
PNG
(CHEMBL3758711)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28F3N3O/c27-26(28,29)23-8-5-9-24(19-23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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283n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142786
PNG
(CHEMBL3758741)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C
Show InChI InChI=1S/C27H33N3O/c1-21-8-7-11-26(22(21)2)30-18-16-29(17-19-30)15-6-5-14-28-27(31)25-13-12-23-9-3-4-10-24(23)20-25/h3-4,7-13,20H,5-6,14-19H2,1-2H3,(H,28,31)
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302n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142776
PNG
(CHEMBL3759607)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28FN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
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310n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142755
PNG
(CHEMBL3758913)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H37N3O2/c1-28-22-12-6-5-11-21(22)26-17-15-25(16-18-26)14-8-7-13-24-23(27)19-20-9-3-2-4-10-20/h5-6,11-12,20H,2-4,7-10,13-19H2,1H3,(H,24,27)
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322n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142788
PNG
(CHEMBL3759491)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-9-5-8-23(19-24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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373n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142758
PNG
(CHEMBL3758881)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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404n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142756
PNG
(CHEMBL3758403)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-17(2)16-20(24)21-10-6-7-11-22-12-14-23(15-13-22)18-8-4-5-9-19(18)25-3/h4-5,8-9,17H,6-7,10-16H2,1-3H3,(H,21,24)
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418n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142753
PNG
(CHEMBL3760063)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)
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482n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142793
PNG
(CHEMBL3758665)
Show SMILES CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-2-35-28(34)30-25-10-7-11-26(21-25)32-18-16-31(17-19-32)15-6-5-14-29-27(33)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,29,33)(H,30,34)
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911n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142754
PNG
(CHEMBL26962)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C22H35N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3,(H,23,26)
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963n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142793
PNG
(CHEMBL3758665)
Show SMILES CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-2-35-28(34)30-25-10-7-11-26(21-25)32-18-16-31(17-19-32)15-6-5-14-29-27(33)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,29,33)(H,30,34)
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1.03E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122042
PNG
(CHEMBL154508 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)
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1.15E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50142788
PNG
(CHEMBL3759491)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-9-5-8-23(19-24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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1.53E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human ADRA1A receptor


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142795
PNG
(CHEMBL3759312)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1
Show InChI InChI=1S/C23H32N4O2/c1-25(20-10-4-3-5-11-20)23(28)24-14-8-9-15-26-16-18-27(19-17-26)21-12-6-7-13-22(21)29-2/h3-7,10-13H,8-9,14-19H2,1-2H3,(H,24,28)
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1.55E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142787
PNG
(CHEMBL3758711)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28F3N3O/c27-26(28,29)23-8-5-9-24(19-23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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1.55E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142784
PNG
(CHEMBL3759513)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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3.32E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142760
PNG
(CHEMBL3758330)
Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-10-4-3-9-23(24)28-17-15-27(16-18-28)14-6-5-13-26-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19,29H,5-6,13-18H2,(H,26,30)
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5.03E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50142785
PNG
(CHEMBL3758920)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28ClN3O/c26-23-9-11-24(12-10-23)29-17-15-28(16-18-29)14-4-3-13-27-25(30)22-8-7-20-5-1-2-6-21(20)19-22/h1-2,5-12,19H,3-4,13-18H2,(H,27,30)
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1.21E+4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.068
BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%