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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 4D' and Ligand = 'BDBM50008744'   
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 4D


(Homo sapiens (Human))
BDBM50008744
PNG
(CHEMBL3236000)
Show SMILES COC1=CC(=O)c2cc(C)cc(c2C1=O)-c1c(OC)cc(OC)c2ccc(=O)oc12 |t:2,(47.77,-52.9,;47.78,-51.36,;46.45,-50.58,;46.45,-49.04,;45.11,-48.26,;45.11,-46.72,;43.78,-49.03,;42.44,-48.27,;41.11,-49.04,;39.78,-48.27,;41.11,-50.58,;42.44,-51.36,;43.77,-50.58,;45.1,-51.35,;45.1,-52.89,;42.44,-54.07,;41.11,-54.83,;39.77,-54.06,;39.77,-52.52,;41.11,-56.37,;42.44,-57.14,;42.45,-58.68,;41.12,-59.46,;43.77,-56.36,;45.1,-57.12,;46.43,-56.36,;46.42,-54.82,;47.76,-54.05,;45.09,-54.05,;43.77,-54.82,)|
Show InChI InChI=1S/C23H18O7/c1-11-7-13-15(24)9-18(29-4)22(26)20(13)14(8-11)21-17(28-3)10-16(27-2)12-5-6-19(25)30-23(12)21/h5-10H,1-4H3
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Similars

Article
PubMed
n/an/a 5.51E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair