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BDBM50016980 6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one::6-[4-(3,4-Dimethoxy-benzoyl)-piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one::6-[4-(3,4-Dimethoxy-benzoyl)-piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one(OPC-8212)::CHEMBL17423::VESNARINONE::[4-(3,4-Dihydro-quinolin-6-yl)-piperazin-1-yl]-(3,4-dimethoxy-phenyl)-methanone

SMILES: COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1

InChI Key: InChIKey=ZVNYJIZDIRKMBF-UHFFFAOYSA-N

Data: 9 IC50

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 = 50016980   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.12E+4n/an/an/an/an/an/a



DaQing Oil Field General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay


Bioorg Med Chem 23: 6111-7 (2015)


BindingDB Entry DOI: 10.7270/Q2HT2R46
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.45E+4n/an/an/an/an/an/a



DaQing Oil Field General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human PDE3B using FAM-cAMP by fluorescence polarization assay


Bioorg Med Chem 23: 6111-7 (2015)


BindingDB Entry DOI: 10.7270/Q2HT2R46
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Bioorg Med Chem Lett 13: 2773-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 6.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of cyclic AMP phosphodiesterase from human platelets


J Med Chem 30: 303-18 (1987)


BindingDB Entry DOI: 10.7270/Q27946X0
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A by fluorescence microplate reader


Bioorg Med Chem 18: 855-62 (2010)


Article DOI: 10.1016/j.bmc.2009.11.044
BindingDB Entry DOI: 10.7270/Q2Q81F13
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3B by fluorescence microplate reader


Bioorg Med Chem 18: 855-62 (2010)


Article DOI: 10.1016/j.bmc.2009.11.044
BindingDB Entry DOI: 10.7270/Q2Q81F13
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50016980
PNG
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against IKr potassium channel


Bioorg Med Chem Lett 14: 4771-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.070
BindingDB Entry DOI: 10.7270/Q208661K
More data for this
Ligand-Target Pair