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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50040295   
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


(Rattus norvegicus (Rat))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392131
PNG
(CHEMBL2152752)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)/t18-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392134
PNG
(CHEMBL2152755)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392129
PNG
(CHEMBL2152750)
Show SMILES CCCN(CCCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C27H38N6OS/c1-2-11-32(21-9-10-23-25(19-21)35-27(28)30-23)13-6-5-12-31-14-16-33(17-15-31)26(34)24-18-20-7-3-4-8-22(20)29-24/h3-4,7-8,18,21,29H,2,5-6,9-17,19H2,1H3,(H2,28,30)
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1.70n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392126
PNG
(CHEMBL2152747)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392121
PNG
(CHEMBL2152632 | US10874669, Compound (+-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)
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1.90n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50303791
PNG
((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392122
PNG
(CHEMBL2152633 | US10874669, Compound (+)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392128
PNG
(CHEMBL2152749)
Show SMILES CCCN(CCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H36N6OS/c1-2-10-31(20-8-9-22-24(18-20)34-26(27)29-22)12-5-11-30-13-15-32(16-14-30)25(33)23-17-19-6-3-4-7-21(19)28-23/h3-4,6-7,17,20,28H,2,5,8-16,18H2,1H3,(H2,27,29)
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2.80n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392120
PNG
(CHEMBL2152631)
Show SMILES CCCN(CCN1CCN(Cc2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(24-10-11-26-22(19-24)6-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-23-20-29-27-8-4-3-7-25(23)27/h3-9,20,24,29,33H,2,10-19,21H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392133
PNG
(CHEMBL2152754)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)
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4.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392118
PNG
(CHEMBL2152629)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(25-7-8-26-23(20-25)4-3-5-28(26)33)18-17-30-13-15-31(16-14-30)21-22-6-9-27-24(19-22)10-11-29-27/h3-6,9-11,19,25,29,33H,2,7-8,12-18,20-21H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392130
PNG
(CHEMBL2152751)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)
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4.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392125
PNG
(CHEMBL2152746)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)
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4.60n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392119
PNG
(CHEMBL2152630)
Show SMILES CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-24-19-23-6-3-4-8-27(23)29-24/h3-9,19,25,29,33H,2,10-18,20-21H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392137
PNG
(CHEMBL2152758)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H36N6S/c1-2-9-31(21-4-6-23-24(17-21)32-25(26)28-23)15-14-29-10-12-30(13-11-29)18-19-3-5-22-20(16-19)7-8-27-22/h3,5,7-8,16,21,27H,2,4,6,9-15,17-18H2,1H3,(H2,26,28)
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8.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392124
PNG
(CHEMBL2152745)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H36N4O/c1-2-12-30(23-6-8-25-21(19-23)4-3-5-27(25)32)16-13-29-14-17-31(18-15-29)24-7-9-26-22(20-24)10-11-28-26/h3-5,7,9-11,20,23,28,32H,2,6,8,12-19H2,1H3
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10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392123
PNG
(CHEMBL2152634 | US10874669, Compound (-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
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16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392136
PNG
(CHEMBL2152757)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccc(O)cc12)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6O2S/c1-2-7-30(17-3-5-22-23(14-17)34-25(26)28-22)11-8-29-9-12-31(13-10-29)24(33)20-16-27-21-6-4-18(32)15-19(20)21/h4,6,15-17,27,32H,2-3,5,7-14H2,1H3,(H2,26,28)
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17n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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26n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392122
PNG
(CHEMBL2152633 | US10874669, Compound (+)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1
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39n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392121
PNG
(CHEMBL2152632 | US10874669, Compound (+-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)
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47n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392132
PNG
(CHEMBL2152753)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)/t18-/m1/s1
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48n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392135
PNG
(CHEMBL2152756)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m1/s1
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53n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50392127
PNG
(CHEMBL2152748)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m1/s1
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54n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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59n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392124
PNG
(CHEMBL2152745)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H36N4O/c1-2-12-30(23-6-8-25-21(19-23)4-3-5-27(25)32)16-13-29-14-17-31(18-15-29)24-7-9-26-22(20-24)10-11-28-26/h3-5,7,9-11,20,23,28,32H,2,6,8,12-19H2,1H3
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76n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392120
PNG
(CHEMBL2152631)
Show SMILES CCCN(CCN1CCN(Cc2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(24-10-11-26-22(19-24)6-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-23-20-29-27-8-4-3-7-25(23)27/h3-9,20,24,29,33H,2,10-19,21H2,1H3
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82n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392137
PNG
(CHEMBL2152758)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H36N6S/c1-2-9-31(21-4-6-23-24(17-21)32-25(26)28-23)15-14-29-10-12-30(13-11-29)18-19-3-5-22-20(16-19)7-8-27-22/h3,5,7-8,16,21,27H,2,4,6,9-15,17-18H2,1H3,(H2,26,28)
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132n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392123
PNG
(CHEMBL2152634 | US10874669, Compound (-)-10)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
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134n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392119
PNG
(CHEMBL2152630)
Show SMILES CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-24-19-23-6-3-4-8-27(23)29-24/h3-9,19,25,29,33H,2,10-18,20-21H2,1H3
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183n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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264n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50303791
PNG
((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1
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269n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392118
PNG
(CHEMBL2152629)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-12-32(25-7-8-26-23(20-25)4-3-5-28(26)33)18-17-30-13-15-31(16-14-30)21-22-6-9-27-24(19-22)10-11-29-27/h3-6,9-11,19,25,29,33H,2,7-8,12-18,20-21H2,1H3
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269n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392129
PNG
(CHEMBL2152750)
Show SMILES CCCN(CCCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C27H38N6OS/c1-2-11-32(21-9-10-23-25(19-21)35-27(28)30-23)13-6-5-12-31-14-16-33(17-15-31)26(34)24-18-20-7-3-4-8-22(20)29-24/h3-4,7-8,18,21,29H,2,5-6,9-17,19H2,1H3,(H2,28,30)
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531n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392125
PNG
(CHEMBL2152746)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)
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852n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392131
PNG
(CHEMBL2152752)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)/t18-/m0/s1
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902n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392128
PNG
(CHEMBL2152749)
Show SMILES CCCN(CCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H36N6OS/c1-2-10-31(20-8-9-22-24(18-20)34-26(27)29-22)12-5-11-30-13-15-32(16-14-30)25(33)23-17-19-6-3-4-7-21(19)28-23/h3-4,6-7,17,20,28H,2,5,8-16,18H2,1H3,(H2,27,29)
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928n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392134
PNG
(CHEMBL2152755)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392126
PNG
(CHEMBL2152747)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392136
PNG
(CHEMBL2152757)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccc(O)cc12)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6O2S/c1-2-7-30(17-3-5-22-23(14-17)34-25(26)28-22)11-8-29-9-12-31(13-10-29)24(33)20-16-27-21-6-4-18(32)15-19(20)21/h4,6,15-17,27,32H,2-3,5,7-14H2,1H3,(H2,26,28)
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1.08E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392133
PNG
(CHEMBL2152754)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)
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1.24E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392132
PNG
(CHEMBL2152753)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)/t18-/m1/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392130
PNG
(CHEMBL2152751)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(18-7-8-22-23(16-18)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)20-17-27-21-6-4-3-5-19(20)21/h3-6,17-18,27H,2,7-16H2,1H3,(H2,26,28)
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1.50E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392127
PNG
(CHEMBL2152748)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m1/s1
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2.56E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50392135
PNG
(CHEMBL2152756)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m1/s1
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2.63E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50392134
PNG
(CHEMBL2152755)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m0/s1
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n/an/an/an/a 0.560n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 8.60n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
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