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PubMed code 16335915

Compile data set for download or QSAR
Found 16 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))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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0.300n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178623
PNG
(CHEMBL110365 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)
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0.520n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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1.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122056
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2,3-dichloro-phe...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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1.98n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178624
PNG
(CHEMBL426414 | trans-N-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)CC1
Show InChI InChI=1S/C28H39N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-12,24-25H,7-8,13-22H2,1H3,(H,29,32)/t24-,25-
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3.40n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
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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4.60n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178627
PNG
(CHEMBL168357 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-11-6-12-23(24(22)27)30-17-15-29(16-18-30)14-4-3-13-28-25(31)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5-12H,3-4,13-18H2,(H,28,31)
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6.90n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
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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7.90n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178628
PNG
(CHEMBL168948 | cis-N-(4-(4-(2,3-dichlorophenyl)pip...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@H](CC3)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H35Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-10,22-23H,4-5,11-20H2,(H,30,33)/t22-,23+
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10.6n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178621
PNG
(CHEMBL114541 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C21H25Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2,(H,24,27)
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11.9n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178622
PNG
(CHEMBL277301 | cis-N-(4-(4-(2-methoxyphenyl)pipera...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CC[C@H](CC2)c2ccccc2)CC1
Show InChI InChI=1S/C28H39N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-12,24-25H,7-8,13-22H2,1H3,(H,29,32)/t24-,25+
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20.6n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178620
PNG
(CHEMBL361228 | trans-N-(4-(4-(2,3-dichlorophenyl)p...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@@H](CC3)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H35Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-10,22-23H,4-5,11-20H2,(H,30,33)/t22-,23-
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22.8n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178625
PNG
(CHEMBL169766 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-27-26(30)23-12-8-10-21-9-2-3-11-22(21)23/h2-5,8-14H,6-7,15-20H2,1H3,(H,27,30)
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32.6n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007180
PNG
(CHEMBL26188 | N-(4-(4-(2-methoxyphenyl)piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O2/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/h2-6,9-12H,7-8,13-18H2,1H3,(H,23,26)
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128n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane


J Med Chem 48: 7919-22 (2005)


Article DOI: 10.1021/jm050729o
BindingDB Entry DOI: 10.7270/Q24M943G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%