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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50460671'   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50460671
PNG
(CHEMBL4228478)
Show SMILES CS(=O)(=O)c1cc(F)cc2n3CCC[C@@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r|
Show InChI InChI=1S/C22H19F4NO4S2/c1-33(30,31)17-11-14(23)10-16-19(17)21(20-12(9-18(28)29)3-2-8-27(16)20)32-15-6-4-13(5-7-15)22(24,25)26/h4-7,10-12H,2-3,8-9H2,1H3,(H,28,29)/t12-/m0/s1
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Article
PubMed
n/an/a 5n/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