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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'leppaenen' and Initial = 'j'   
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))
BDBM50221380
PNG
(CHEMBL239923 | N-(4-{4-[benzyl(phenyl)amino]piperi...)
Show SMILES O=C(NCCCCN1CCC(CC1)N(Cc1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H37N3O/c37-33(30-18-17-28-13-7-8-14-29(28)25-30)34-21-9-10-22-35-23-19-32(20-24-35)36(31-15-5-2-6-16-31)26-27-11-3-1-4-12-27/h1-8,11-18,25,32H,9-10,19-24,26H2,(H,34,37)
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0.300n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
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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0.910n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221374
PNG
(CHEMBL241455 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1)c1ccccc1 |w:7.7|
Show InChI InChI=1S/C30H34ClN3O/c31-28-16-14-27(15-17-28)30(26-11-5-2-6-12-26)34-23-21-33(22-24-34)20-8-7-19-32-29(35)18-13-25-9-3-1-4-10-25/h1-6,9-18,30H,7-8,19-24H2,(H,32,35)/b18-13+
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2.40n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221376
PNG
(CHEMBL239706 | benzo[b]thiophene-2-carboxylic acid...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c3cc4ccccc4s3)-[#6]-[#6]-2)c1
Show InChI InChI=1S/C32H32ClN3OS/c33-26-11-12-27-24(20-26)10-9-23-7-5-16-34-31(23)30(27)22-13-18-36(19-14-22)17-4-3-15-35-32(37)29-21-25-6-1-2-8-28(25)38-29/h1-2,5-8,11-12,16,20-21H,3-4,9-10,13-15,17-19H2,(H,35,37)
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2.70n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221369
PNG
(CHEMBL394019 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 |w:7.34|
Show InChI InChI=1S/C32H34ClN3O/c33-30-16-14-27(15-17-30)31(26-9-2-1-3-10-26)36-22-20-35(21-23-36)19-7-6-18-34-32(37)29-13-12-25-8-4-5-11-28(25)24-29/h1-5,8-17,24,31H,6-7,18-23H2,(H,34,37)
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2.82n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221400
PNG
(CHEMBL240600 | N-(4-(4-((2-methoxyphenyl)(phenyl)m...)
Show SMILES COc1ccccc1C(N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1)c1ccccc1 |w:8.34|
Show InChI InChI=1S/C31H35N3O2S/c1-36-27-15-7-6-14-26(27)30(24-11-3-2-4-12-24)34-21-19-33(20-22-34)18-10-9-17-32-31(35)29-23-25-13-5-8-16-28(25)37-29/h2-8,11-16,23,30H,9-10,17-22H2,1H3,(H,32,35)
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3.60n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221367
PNG
(CHEMBL239493 | naphthalene-2-carboxylic acid {4-[4...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c3ccc4ccccc4c3)-[#6]-[#6]-2)c1
Show InChI InChI=1S/C34H34ClN3O/c35-30-13-14-31-28(23-30)11-10-26-8-5-18-36-33(26)32(31)25-15-20-38(21-16-25)19-4-3-17-37-34(39)29-12-9-24-6-1-2-7-27(24)22-29/h1-2,5-9,12-14,18,22-23H,3-4,10-11,15-17,19-21H2,(H,37,39)
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6.01n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221387
PNG
(CHEMBL241026 | N-[4-(4-diphenylmethylpiperazin-1-y...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C30H35N3O/c34-29(19-18-26-12-4-1-5-13-26)31-20-10-11-21-32-22-24-33(25-23-32)30(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-19,30H,10-11,20-25H2,(H,31,34)/b19-18+
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6.20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221366
PNG
(CHEMBL240589 | N-(4-(3,4-dihydroisoquinolin-2(1H)-...)
Show SMILES O=C(NCCCCN1CCc2ccccc2C1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(13-12-19-8-2-1-3-9-19)23-15-6-7-16-24-17-14-20-10-4-5-11-21(20)18-24/h1-5,8-13H,6-7,14-18H2,(H,23,25)/b13-12+
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8.72n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221360
PNG
(CHEMBL241226 | N-(4-(4-(2-methoxyphenylamino)piper...)
Show SMILES COc1ccccc1NC1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-30-24-12-6-5-11-23(24)27-22-15-19-28(20-16-22)18-8-7-17-26-25(29)14-13-21-9-3-2-4-10-21/h2-6,9-14,22,27H,7-8,15-20H2,1H3,(H,26,29)/b14-13+
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10.8n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221391
PNG
(CHEMBL430371 | naphthalene-2-carboxylic acid {4-[4...)
Show SMILES O=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H32N2O2S/c36-30-22-26-9-3-4-10-28(26)31(29-15-20-38-32(29)30)24-13-18-35(19-14-24)17-6-5-16-34-33(37)27-12-11-23-7-1-2-8-25(23)21-27/h1-4,7-12,15,20-21H,5-6,13-14,16-19,22H2,(H,34,37)
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10.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221381
PNG
(CHEMBL240588 | N-{4-[4-(diphenylmethyl)piperazin-1...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H35N3O/c36-32(30-18-17-26-11-7-8-16-29(26)25-30)33-19-9-10-20-34-21-23-35(24-22-34)31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,11-18,25,31H,9-10,19-24H2,(H,33,36)
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11.1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221365
PNG
(CHEMBL239539 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)C2CCCCC2)CC1)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C28H38ClN3O/c29-26-15-13-24(14-16-26)27(23-9-3-1-4-10-23)32-21-19-31(20-22-32)18-8-7-17-30-28(33)25-11-5-2-6-12-25/h1,3-4,9-10,13-16,25,27H,2,5-8,11-12,17-22H2,(H,30,33)
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12.3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221368
PNG
(CHEMBL240564 | N-(4-(4-(bis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1)c1ccccc1OC
Show InChI InChI=1S/C32H39N3O3/c1-37-29-16-8-6-14-27(29)32(28-15-7-9-17-30(28)38-2)35-24-22-34(23-25-35)21-11-10-20-33-31(36)19-18-26-12-4-3-5-13-26/h3-9,12-19,32H,10-11,20-25H2,1-2H3,(H,33,36)/b19-18+
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15.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221394
PNG
(CHEMBL391895 | N-(4-(4-(bis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1OC
Show InChI InChI=1S/C34H39N3O3/c1-39-31-15-7-5-13-29(31)33(30-14-6-8-16-32(30)40-2)37-23-21-36(22-24-37)20-10-9-19-35-34(38)28-18-17-26-11-3-4-12-27(26)25-28/h3-8,11-18,25,33H,9-10,19-24H2,1-2H3,(H,35,38)
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15.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221361
PNG
(CHEMBL241659 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1)c1ccccc1 |w:7.33|
Show InChI InChI=1S/C30H32ClN3OS/c31-26-14-12-24(13-15-26)29(23-8-2-1-3-9-23)34-20-18-33(19-21-34)17-7-6-16-32-30(35)28-22-25-10-4-5-11-27(25)36-28/h1-5,8-15,22,29H,6-7,16-21H2,(H,32,35)
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17.7n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221384
PNG
(CHEMBL241225 | N-(4-(4-(2-methoxyphenylamino)piper...)
Show SMILES COc1ccccc1NC1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H33N3O2/c1-32-26-11-5-4-10-25(26)29-24-14-18-30(19-15-24)17-7-6-16-28-27(31)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20,24,29H,6-7,14-19H2,1H3,(H,28,31)
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18.4n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221399
PNG
(CHEMBL391120 | N-(4-(4-(bis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1)c1ccccc1OC
Show InChI InChI=1S/C32H37N3O3S/c1-37-27-14-6-4-12-25(27)31(26-13-5-7-15-28(26)38-2)35-21-19-34(20-22-35)18-10-9-17-33-32(36)30-23-24-11-3-8-16-29(24)39-30/h3-8,11-16,23,31H,9-10,17-22H2,1-2H3,(H,33,36)
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22.8n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221393
PNG
(CHEMBL240378 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 |w:7.7|
Show InChI InChI=1S/C29H30ClN3O2/c30-24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)32-20-18-31(19-21-32)16-6-7-17-33-28(34)25-10-4-5-11-26(25)29(33)35/h1-5,8-15,27H,6-7,16-21H2
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28n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221386
PNG
(CHEMBL241027 | N-[4-(4-diphenylmethylpiperazin-1-y...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C26H31N3OS/c30-26(24-14-9-21-31-24)27-15-7-8-16-28-17-19-29(20-18-28)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-14,21,25H,7-8,15-20H2,(H,27,30)
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28.4n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221377
PNG
(CHEMBL429462 | N-[4-(4-diphenylmethylpiperazin-1-y...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C28H39N3O/c32-28(26-16-8-3-9-17-26)29-18-10-11-19-30-20-22-31(23-21-30)27(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-7,12-15,26-27H,3,8-11,16-23H2,(H,29,32)
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30.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221359
PNG
(CHEMBL391057 | N-[4-(4-diphenylmethylpiperazin-1-y...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc2ccccc2s1
Show InChI InChI=1S/C30H33N3OS/c34-30(28-23-26-15-7-8-16-27(26)35-28)31-17-9-10-18-32-19-21-33(22-20-32)29(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-8,11-16,23,29H,9-10,17-22H2,(H,31,34)
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30.3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221395
PNG
(CHEMBL392579 | N-(4-{4-[benzyl(phenyl)amino]piperi...)
Show SMILES O=C(NCCCCN1CCC(CC1)N(Cc1ccccc1)c1ccccc1)c1cc2ccccc2s1
Show InChI InChI=1S/C31H35N3OS/c35-31(30-23-26-13-7-8-16-29(26)36-30)32-19-9-10-20-33-21-17-28(18-22-33)34(27-14-5-2-6-15-27)24-25-11-3-1-4-12-25/h1-8,11-16,23,28H,9-10,17-22,24H2,(H,32,35)
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31.1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221382
PNG
(CHEMBL394189 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H37N3O/c37-33(31-19-18-27-12-7-8-17-30(27)26-31)34-20-9-10-21-35-22-11-23-36(25-24-35)32(28-13-3-1-4-14-28)29-15-5-2-6-16-29/h1-8,12-19,26,32H,9-11,20-25H2,(H,34,37)
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32.6n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221389
PNG
(CHEMBL401224 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1cc2ccccc2s1
Show InChI InChI=1S/C31H35N3OS/c35-31(29-24-27-16-7-8-17-28(27)36-29)32-18-9-10-19-33-20-11-21-34(23-22-33)30(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-8,12-17,24,30H,9-11,18-23H2,(H,32,35)
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36.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221371
PNG
(CHEMBL241660 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)c2cccs2)CC1)c1ccccc1 |w:7.28|
Show InChI InChI=1S/C26H30ClN3OS/c27-23-12-10-22(11-13-23)25(21-7-2-1-3-8-21)30-18-16-29(17-19-30)15-5-4-14-28-26(31)24-9-6-20-32-24/h1-3,6-13,20,25H,4-5,14-19H2,(H,28,31)
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38.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221385
PNG
(CHEMBL401223 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C31H37N3O/c35-30(20-19-27-13-4-1-5-14-27)32-21-10-11-22-33-23-12-24-34(26-25-33)31(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-9,13-20,31H,10-12,21-26H2,(H,32,35)/b20-19+
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40.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221396
PNG
(CHEMBL240587 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 |w:7.33|
Show InChI InChI=1S/C30H32ClN3O2/c31-25-15-13-24(14-16-25)28(23-9-2-1-3-10-23)33-19-8-18-32(21-22-33)17-6-7-20-34-29(35)26-11-4-5-12-27(26)30(34)36/h1-5,9-16,28H,6-8,17-22H2
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42.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221375
PNG
(CHEMBL240377 | N-{4-[4-(diphenylmethyl)piperazin-1...)
Show SMILES O=C1N(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C29H31N3O2/c33-28-25-15-7-8-16-26(25)29(34)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,9-10,17-22H2
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47.3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221363
PNG
(CHEMBL239065 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)\C=C\c1ccccc1 |w:11.11|
Show InChI InChI=1S/C30H33N3O/c34-30(17-16-24-10-2-1-3-11-24)31-18-8-9-19-32-20-21-33-28-15-7-5-13-26(28)22-25-12-4-6-14-27(25)29(33)23-32/h1-7,10-17,29H,8-9,18-23H2,(H,31,34)/b17-16+
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50.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
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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52n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221388
PNG
(CHEMBL393775 | N-{4-[4-(10-oxo-9,10-dihydro-4H-ben...)
Show SMILES O=[#6]-1-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccsc3-[#6](=O)-[#6]-c3ccccc-23)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C30H28N2O3S/c33-26-19-21-7-1-2-8-22(21)27(25-13-18-36-28(25)26)20-11-16-31(17-12-20)14-5-6-15-32-29(34)23-9-3-4-10-24(23)30(32)35/h1-4,7-10,13,18H,5-6,11-12,14-17,19H2
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99.1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221362
PNG
(CHEMBL239708 | N-{4-[4-(N'-benzyl-N0-phenylamino)p...)
Show SMILES O=C1N(CCCCN2CCC(CC2)N(Cc2ccccc2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H33N3O2/c34-29-27-15-7-8-16-28(27)30(35)32(29)20-10-9-19-31-21-17-26(18-22-31)33(25-13-5-2-6-14-25)23-24-11-3-1-4-12-24/h1-8,11-16,26H,9-10,17-23H2
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128n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221370
PNG
(CHEMBL240379 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C1N(CCCCN2CCCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H33N3O2/c34-29-26-16-7-8-17-27(26)30(35)33(29)21-10-9-18-31-19-11-20-32(23-22-31)28(24-12-3-1-4-13-24)25-14-5-2-6-15-25/h1-8,12-17,28H,9-11,18-23H2
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133n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221382
PNG
(CHEMBL394189 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H37N3O/c37-33(31-19-18-27-12-7-8-17-30(27)26-31)34-20-9-10-21-35-22-11-23-36(25-24-35)32(28-13-3-1-4-14-28)29-15-5-2-6-16-29/h1-8,12-19,26,32H,9-11,20-25H2,(H,34,37)
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136n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221371
PNG
(CHEMBL241660 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)c2cccs2)CC1)c1ccccc1 |w:7.28|
Show InChI InChI=1S/C26H30ClN3OS/c27-23-12-10-22(11-13-23)25(21-7-2-1-3-8-21)30-18-16-29(17-19-30)15-5-4-14-28-26(31)24-9-6-20-32-24/h1-3,6-13,20,25H,4-5,14-19H2,(H,28,31)
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160n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221385
PNG
(CHEMBL401223 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C31H37N3O/c35-30(20-19-27-13-4-1-5-14-27)32-21-10-11-22-33-23-12-24-34(26-25-33)31(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-9,13-20,31H,10-12,21-26H2,(H,32,35)/b20-19+
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161n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221384
PNG
(CHEMBL241225 | N-(4-(4-(2-methoxyphenylamino)piper...)
Show SMILES COc1ccccc1NC1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H33N3O2/c1-32-26-11-5-4-10-25(26)29-24-14-18-30(19-15-24)17-7-6-16-28-27(31)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20,24,29H,6-7,14-19H2,1H3,(H,28,31)
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163n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221365
PNG
(CHEMBL239539 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)C2CCCCC2)CC1)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C28H38ClN3O/c29-26-15-13-24(14-16-26)27(23-9-3-1-4-10-23)32-21-19-31(20-22-32)18-8-7-17-30-28(33)25-11-5-2-6-12-25/h1,3-4,9-10,13-16,25,27H,2,5-8,11-12,17-22H2,(H,30,33)
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189n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221396
PNG
(CHEMBL240587 | N-(4-{4-[(4-chlorophenyl)phenylmeth...)
Show SMILES Clc1ccc(cc1)C(N1CCCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 |w:7.33|
Show InChI InChI=1S/C30H32ClN3O2/c31-25-15-13-24(14-16-25)28(23-9-2-1-3-10-23)33-19-8-18-32(21-22-33)17-6-7-20-34-29(35)26-11-4-5-12-27(26)30(34)36/h1-5,9-16,28H,6-8,17-22H2
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226n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221367
PNG
(CHEMBL239493 | naphthalene-2-carboxylic acid {4-[4...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c3ccc4ccccc4c3)-[#6]-[#6]-2)c1
Show InChI InChI=1S/C34H34ClN3O/c35-30-13-14-31-28(23-30)11-10-26-8-5-18-36-33(26)32(31)25-15-20-38(21-16-25)19-4-3-17-37-34(39)29-12-9-24-6-1-2-7-27(24)22-29/h1-2,5-9,12-14,18,22-23H,3-4,10-11,15-17,19-21H2,(H,37,39)
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252n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221392
PNG
(CHEMBL239067 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)C1CCCCC1 |w:11.11|
Show InChI InChI=1S/C28H37N3O/c32-28(22-10-2-1-3-11-22)29-16-8-9-17-30-18-19-31-26-15-7-5-13-24(26)20-23-12-4-6-14-25(23)27(31)21-30/h4-7,12-15,22,27H,1-3,8-11,16-21H2,(H,29,32)
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258n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221394
PNG
(CHEMBL391895 | N-(4-(4-(bis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1OC
Show InChI InChI=1S/C34H39N3O3/c1-39-31-15-7-5-13-29(31)33(30-14-6-8-16-32(30)40-2)37-23-21-36(22-24-37)20-10-9-19-35-34(38)28-18-17-26-11-3-4-12-27(26)25-28/h3-8,11-18,25,33H,9-10,19-24H2,1-2H3,(H,35,38)
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313n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221378
PNG
(CHEMBL436998 | N-{4-[4-(diphenylmethyl)-1,4-diazep...)
Show SMILES O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C27H33N3OS/c31-27(25-15-9-22-32-25)28-16-7-8-17-29-18-10-19-30(21-20-29)26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9,11-15,22,26H,7-8,10,16-21H2,(H,28,31)
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340n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221363
PNG
(CHEMBL239065 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)\C=C\c1ccccc1 |w:11.11|
Show InChI InChI=1S/C30H33N3O/c34-30(17-16-24-10-2-1-3-11-24)31-18-8-9-19-32-20-21-33-28-15-7-5-13-26(28)22-25-12-4-6-14-27(25)29(33)23-32/h1-7,10-17,29H,8-9,18-23H2,(H,31,34)/b17-16+
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429n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221377
PNG
(CHEMBL429462 | N-[4-(4-diphenylmethylpiperazin-1-y...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C28H39N3O/c32-28(26-16-8-3-9-17-26)29-18-10-11-19-30-20-22-31(23-21-30)27(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-7,12-15,26-27H,3,8-11,16-23H2,(H,29,32)
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435n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221381
PNG
(CHEMBL240588 | N-{4-[4-(diphenylmethyl)piperazin-1...)
Show SMILES O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H35N3O/c36-32(30-18-17-26-11-7-8-16-29(26)25-30)33-19-9-10-20-34-21-23-35(24-22-34)31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,11-18,25,31H,9-10,19-24H2,(H,33,36)
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457n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221364
PNG
(CHEMBL239066 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cccs1 |w:11.11|
Show InChI InChI=1S/C26H29N3OS/c30-26(25-12-7-17-31-25)27-13-5-6-14-28-15-16-29-23-11-4-2-9-21(23)18-20-8-1-3-10-22(20)24(29)19-28/h1-4,7-12,17,24H,5-6,13-16,18-19H2,(H,27,30)
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497n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221390
PNG
(CHEMBL238858 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C1N(CCCCN2CCN3C(C2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C29H29N3O2/c33-28-24-12-4-5-13-25(24)29(34)32(28)16-8-7-15-30-17-18-31-26-14-6-2-10-22(26)19-21-9-1-3-11-23(21)27(31)20-30/h1-6,9-14,27H,7-8,15-20H2
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500n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221364
PNG
(CHEMBL239066 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...)
Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cccs1 |w:11.11|
Show InChI InChI=1S/C26H29N3OS/c30-26(25-12-7-17-31-25)27-13-5-6-14-28-15-16-29-23-11-4-2-9-21(23)18-20-8-1-3-10-22(20)24(29)19-28/h1-4,7-12,17,24H,5-6,13-16,18-19H2,(H,27,30)
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500n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


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


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
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