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BDBM50109286 6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one::6-Imidazol-1-yl-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-2H-pyridazin-3-one::CHEMBL420542

SMILES: COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1

InChI Key: InChIKey=NAJTXKCCLJQGEQ-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50109286   
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))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
115n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


BindingDB Entry DOI: 10.7270/Q2XW4N1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
463n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
673n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]rauwolscine radioligand from Alpha-2 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


BindingDB Entry DOI: 10.7270/Q2XW4N1S
More data for this
Ligand-Target Pair