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BDBM50228645 (+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-dione::CHEMBL254298

SMILES: CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1

InChI Key: InChIKey=XUTWKCUZLXNZPI-UHFFFAOYSA-N

Data: 9 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50228645   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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Article
PubMed
54.7n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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Article
PubMed
>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]-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 2A


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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MMDB

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PubMed
>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]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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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PubMed
>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))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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Article
PubMed
>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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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PubMed
>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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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PubMed
>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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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Article
PubMed
>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]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 7


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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Article
PubMed
>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]-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