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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A' and Ligand = 'BDBM50258268'   
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
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))		BDBM50258268
PNG
(CHEMBL4059831 | US11419874, Example 21)
Show SMILES CC[C@@H](NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C18H17F3N4O2/c1-3-15(12-4-6-13(7-5-12)27-18(19,20)21)24-17(26)14-9-23-25-10-11(2)8-22-16(14)25/h4-10,15H,3H2,1-2H3,(H,24,26)/t15-/m1/s1
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Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged PDE11A4 expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP...

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair