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Compile Data Set for Download or QSAR

Found 9 hits of ki for monomerid = 50228647   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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82.4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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120n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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170n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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600n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT7 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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720n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair