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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50236244'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50236244
PNG
(CHEMBL4065588)
Show SMILES Cc1cc([C@H]2CN(CC(F)(F)C2)C(=O)c2ccc(F)c(Br)c2)n2ncnc2n1
Show InChI InChI=1/C18H15BrF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/s2
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair