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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D' and Ligand = 'BDBM50495709'   
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/4B/4C/4D


(Homo sapiens (Human))
BDBM50495709
PNG
(CHEMBL3113966)
Show SMILES Cc1ccc(cc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O7S/c1-15-3-6-18(9-22(15)32-41(2,36)37)26(34)39-24(11-19-20(28)12-33(35)13-21(19)29)17-7-8-23(40-27(30)31)25(10-17)38-14-16-4-5-16/h3,6-10,12-13,16,24,27,32H,4-5,11,14H2,1-2H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495709
PNG
(CHEMBL3113966)
Show SMILES Cc1ccc(cc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O7S/c1-15-3-6-18(9-22(15)32-41(2,36)37)26(34)39-24(11-19-20(28)12-33(35)13-21(19)29)17-7-8-23(40-27(30)31)25(10-17)38-14-16-4-5-16/h3,6-10,12-13,16,24,27,32H,4-5,11,14H2,1-2H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.960n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair