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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50150122'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50150122
PNG
(CHEMBL3769754)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Sc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9|
Show InChI InChI=1S/C29H25FN6OS/c1-34-27(37)25-26(36-23-11-5-10-22(23)32-29(34)36)33-35(28(25)38-20-7-3-2-4-8-20)17-18-13-15-19(16-14-18)21-9-6-12-24(30)31-21/h2-4,6-9,12-16,22-23H,5,10-11,17H2,1H3/t22-,23+/m1/s1
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KEGG

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PC cid
PC sid
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Patents

Article
PubMed
930n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair