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BDBM50040253 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-quinazoline-2,4-dione::CHEMBL51433

SMILES: COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

InChI Key: InChIKey=ZFDWAPWETDMDSZ-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50040253   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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0.25n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL




J Med Chem 36: 2196-207 (1993)


Article DOI: 10.1021/jm00067a017
BindingDB Entry DOI: 10.7270/Q298896M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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0.5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.10n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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16n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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32n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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>50n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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56n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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73n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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132n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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685n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.60E+3n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL




J Med Chem 36: 2196-207 (1993)


Article DOI: 10.1021/jm00067a017
BindingDB Entry DOI: 10.7270/Q298896M
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.81E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair