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PubMed code 26278029

Compile data set for download or QSAR
Found 6 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))
BDBM50111766
PNG
(CHEMBL3605331)
Show SMILES Fc1ccccc1N1CCN(CCCCC(=O)Nc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H32N4O8/c1-26(11-13-5-3-2-4-6-13)12-17(35-22-20(31)19(30)16(10-24)34-22)15-9-14(28)21(33-15)27-8-7-18(29)25-23(27)32/h2-8,14-17,19-22,28,30-31H,9-12,24H2,1H3,(H,25,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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PubMed
3.90n/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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50111767
PNG
(CHEMBL3605344)
Show SMILES COc1ccc2nc(NC(=O)CCCCN3CCN(CC3)c3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C23H27F3N4O10/c24-23(25,26)40-11-3-1-2-10(6-11)19(35)28-9-15(39-21-18(34)17(33)14(8-27)38-21)13-7-12(31)20(37-13)30-5-4-16(32)29-22(30)36/h1-6,12-15,17-18,20-21,31,33-34H,7-9,27H2,(H,28,35)(H,29,32,36)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1
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PubMed
9.40n/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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50111765
PNG
(CHEMBL3605327)
Show SMILES Cl.Clc1ccc(N2CCN(CCCCC(=O)Nc3nc4ccccc4s3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H40N6O9/c26-12-17-21(35)22(36)24(39-17)40-18(16-11-15(32)23(38-16)31-6-3-19(33)27-25(31)37)13-28-7-9-29(10-8-28)14-20(34)30-4-1-2-5-30/h3,6,15-18,21-24,32,35-36H,1-2,4-5,7-14,26H2,(H,27,33,37)/t15-,16+,17-,18+,21-,22-,23-,24+/m1/s1
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88n/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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50111766
PNG
(CHEMBL3605331)
Show SMILES Fc1ccccc1N1CCN(CCCCC(=O)Nc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H32N4O8/c1-26(11-13-5-3-2-4-6-13)12-17(35-22-20(31)19(30)16(10-24)34-22)15-9-14(28)21(33-15)27-8-7-18(29)25-23(27)32/h2-8,14-17,19-22,28,30-31H,9-12,24H2,1H3,(H,25,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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175n/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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50111767
PNG
(CHEMBL3605344)
Show SMILES COc1ccc2nc(NC(=O)CCCCN3CCN(CC3)c3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C23H27F3N4O10/c24-23(25,26)40-11-3-1-2-10(6-11)19(35)28-9-15(39-21-18(34)17(33)14(8-27)38-21)13-7-12(31)20(37-13)30-5-4-16(32)29-22(30)36/h1-6,12-15,17-18,20-21,31,33-34H,7-9,27H2,(H,28,35)(H,29,32,36)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1
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197n/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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50111765
PNG
(CHEMBL3605327)
Show SMILES Cl.Clc1ccc(N2CCN(CCCCC(=O)Nc3nc4ccccc4s3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H40N6O9/c26-12-17-21(35)22(36)24(39-17)40-18(16-11-15(32)23(38-16)31-6-3-19(33)27-25(31)37)13-28-7-9-29(10-8-28)14-20(34)30-4-1-2-5-30/h3,6,15-18,21-24,32,35-36H,1-2,4-5,7-14,26H2,(H,27,33,37)/t15-,16+,17-,18+,21-,22-,23-,24+/m1/s1
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Article
PubMed
5.59E+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 23: 5264-72 (2015)


Article DOI: 10.1016/j.bmc.2015.07.072
BindingDB Entry DOI: 10.7270/Q2VM4F1X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%