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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 = 'BDBM50150242'   
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))
BDBM50150242
PNG
(CHEMBL3769655)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)S(N)(=O)=O)nc12 |r,c:9|
Show InChI InChI=1S/C24H25N7O3S/c1-29-23(32)20-21(26-16-6-3-2-4-7-16)30(14-15-10-12-17(13-11-15)35(25,33)34)28-22(20)31-19-9-5-8-18(19)27-24(29)31/h2-4,6-7,10-13,18-19,26H,5,8-9,14H2,1H3,(H2,25,33,34)/t18-,19+/m1/s1
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
1.20E+3n/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