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BDBM50460681 CHEMBL4228100

SMILES: CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(cc3)C#N)c12

InChI Key: InChIKey=AWOZSMUHGFPMMA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460681   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50460681
PNG
(CHEMBL4228100)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(cc3)C#N)c12
Show InChI InChI=1S/C23H21FN2O4S/c1-31(29,30)20-11-17(24)10-19-18-4-2-3-16(9-21(27)28)22(18)26(23(19)20)13-15-7-5-14(12-25)6-8-15/h5-8,10-11,16H,2-4,9,13H2,1H3,(H,27,28)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 (unknown origin)


Bioorg Med Chem Lett 28: 1122-1126 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C
More data for this
Ligand-Target Pair