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BDBM50344329 2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,5-dihydropyridazin-3(2H)-one::CHEMBL1779447

SMILES: COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C

InChI Key: InChIKey=DAZLPJKWBKLVOK-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344329   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C |t:6|
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 2.89E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C |t:6|
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
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Article
PubMed
n/an/a 3.35E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50344329
PNG
(2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...)
Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C |t:6|
Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair