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PubMed code 26707842

Compile data set for download or QSAR
Found 8 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))
BDBM50500112
PNG
(CHEMBL3739820)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCNc2noc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H26ClN5O/c23-19-8-10-20(11-9-19)28-16-14-27(15-17-28)13-5-4-12-24-22-25-21(29-26-22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,24,26)
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PubMed
270n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50500110
PNG
(CHEMBL3740498)
Show SMILES Cl.Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)
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290n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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PubMed
410n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50500111
PNG
(CHEMBL3740360)
Show SMILES Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)
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810n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50500110
PNG
(CHEMBL3740498)
Show SMILES Cl.Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)
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1.29E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50500111
PNG
(CHEMBL3740360)
Show SMILES Clc1ccc(N2CCN(CCCCNc3noc(n3)-c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N5O/c23-18-8-9-20(19(24)16-18)29-14-12-28(13-15-29)11-5-4-10-25-22-26-21(30-27-22)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H,25,27)
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6.23E+3n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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PubMed
>2.39E+4n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50500112
PNG
(CHEMBL3739820)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCNc2noc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H26ClN5O/c23-19-8-10-20(11-9-19)28-16-14-27(15-17-28)13-5-4-12-24-22-25-21(29-26-22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,24,26)
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7.96E+4n/an/an/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting


Bioorg Med Chem 24: 191-200 (2016)


Article DOI: 10.1016/j.bmc.2015.12.002
BindingDB Entry DOI: 10.7270/Q2J38WK1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%