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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 4B' and Ligand = 'BDBM50049409'   
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 4B


(Homo sapiens (Human))
BDBM50049409
PNG
(CHEMBL3315269 | US11401286, Example 39)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 781n/an/an/an/an/an/a



Tetra Discovery Partners, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...


J Med Chem 62: 4884-4901 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00193
BindingDB Entry DOI: 10.7270/Q26H4MVT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049409
PNG
(CHEMBL3315269 | US11401286, Example 39)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 781n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair