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PubMed code 27543496

Compile data set for download or QSAR
Found 7 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM223067
PNG
(5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluoroben...)
Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2O1
Show InChI InChI=1S/C32H33FN2O6/c1-38-23-7-4-20(5-8-23)28-19-27(37)31-26(36)17-24(18-30(31)40-28)39-15-3-2-12-35-13-10-21(11-14-35)32-25-9-6-22(33)16-29(25)41-34-32/h4-9,16-18,21,28,36H,2-3,10-15,19H2,1H3/t28-/m0/s1
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n/an/a 51.3n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223066
PNG
(5-Hydroxy-2-(fluorophenyl)-7-(4-(4-(2-methoxypheny...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H33FN2O5/c1-36-27-7-3-2-6-24(27)33-15-13-32(14-16-33)12-4-5-17-37-23-18-25(34)30-26(35)20-28(38-29(30)19-23)21-8-10-22(31)11-9-21/h2-3,6-11,18-19,28,34H,4-5,12-17,20H2,1H3/t28-/m0/s1
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n/an/a 57.3n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223068
PNG
(5-Hydroxy-2-(4-fluorophenyl)-7-(4-(4-(6-fluorobenz...)
Show SMILES Oc1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc2O[C@@H](CC(=O)c12)c1ccc(F)cc1
Show InChI InChI=1S/C31H30F2N2O5/c32-21-5-3-19(4-6-21)27-18-26(37)30-25(36)16-23(17-29(30)39-27)38-14-2-1-11-35-12-9-20(10-13-35)31-24-8-7-22(33)15-28(24)40-34-31/h3-8,15-17,20,27,36H,1-2,9-14,18H2/t27-/m0/s1
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n/an/a 87.7n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223070
PNG
(5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluoroben...)
Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2O1
Show InChI InChI=1S/C31H31FN2O6/c1-37-22-6-3-19(4-7-22)27-18-26(36)30-25(35)16-23(17-29(30)39-27)38-14-2-11-34-12-9-20(10-13-34)31-24-8-5-21(32)15-28(24)40-33-31/h3-8,15-17,20,27,35H,2,9-14,18H2,1H3/t27-/m0/s1
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n/an/a 116n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223064
PNG
(5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(2-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCCN3CCN(CC3)c3ccccc3OC)cc2O1
Show InChI InChI=1S/C31H36N2O6/c1-36-23-11-9-22(10-12-23)29-21-27(35)31-26(34)19-24(20-30(31)39-29)38-18-6-5-13-32-14-16-33(17-15-32)25-7-3-4-8-28(25)37-2/h3-4,7-12,19-20,29,34H,5-6,13-18,21H2,1-2H3/t29-/m0/s1
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n/an/a 205n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223069
PNG
(5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(2-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCN3CCN(CC3)c3ccccc3OC)cc2O1
Show InChI InChI=1S/C30H34N2O6/c1-35-22-10-8-21(9-11-22)28-20-26(34)30-25(33)18-23(19-29(30)38-28)37-17-5-12-31-13-15-32(16-14-31)24-6-3-4-7-27(24)36-2/h3-4,6-11,18-19,28,33H,5,12-17,20H2,1-2H3/t28-/m0/s1
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n/an/a 220n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM223065
PNG
(5-Hydroxy-2-(4-methylphenyl)-7-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C31H36N2O5/c1-22-9-11-23(12-10-22)29-21-27(35)31-26(34)19-24(20-30(31)38-29)37-18-6-5-13-32-14-16-33(17-15-32)25-7-3-4-8-28(25)36-2/h3-4,7-12,19-20,29,34H,5-6,13-18,21H2,1-2H3/t29-/m0/s1
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n/an/a 346n/an/an/an/an/a37



Key Laboratory for Neurodegenerative Diseases of Ministry of Education



Assay Description
D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...


Chem Biol Drug Des 89: 353-364 (2017)


Article DOI: 10.1111/cbdd.12843
BindingDB Entry DOI: 10.7270/Q2JW8CR0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%