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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 = 'BDBM285622'   
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))
BDBM285622
PNG
(3-(4-cyano-2,5-difluorophenyl)-N-cyclopropylimidaz...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1C#N |(2.79,1.73,;1.31,1.33,;.91,-.16,;-.58,-.56,;-.98,-2.04,;-.07,-3.29,;-.98,-4.54,;-2.44,-4.06,;-3.78,-4.83,;-5.11,-4.06,;-5.11,-2.52,;-3.78,-1.75,;-2.44,-2.52,;1.47,-3.29,;2.24,-1.96,;2.24,-4.62,;3.78,-4.62,;5.11,-5.39,;5.11,-3.85,;-1.67,.53,;-3.16,.13,;-1.27,2.02,;.21,2.51,;.59,4.01,;.97,5.5,)|
Show InChI InChI=1S/C17H11F2N5O/c18-12-7-11(13(19)6-9(12)8-20)16-15(17(25)22-10-3-4-10)23-14-2-1-5-21-24(14)16/h1-2,5-7,10H,3-4H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Human PDE4A3 coding sequence (amino acids 2 to 825 from the sequence with accession number NP_001104779) was cloned into the baculovirus expression v...


US Patent US10669279 (2020)


BindingDB Entry DOI: 10.7270/Q2765JC9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285622
PNG
(3-(4-cyano-2,5-difluorophenyl)-N-cyclopropylimidaz...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1C#N |(2.79,1.73,;1.31,1.33,;.91,-.16,;-.58,-.56,;-.98,-2.04,;-.07,-3.29,;-.98,-4.54,;-2.44,-4.06,;-3.78,-4.83,;-5.11,-4.06,;-5.11,-2.52,;-3.78,-1.75,;-2.44,-2.52,;1.47,-3.29,;2.24,-1.96,;2.24,-4.62,;3.78,-4.62,;5.11,-5.39,;5.11,-3.85,;-1.67,.53,;-3.16,.13,;-1.27,2.02,;.21,2.51,;.59,4.01,;.97,5.5,)|
Show InChI InChI=1S/C17H11F2N5O/c18-12-7-11(13(19)6-9(12)8-20)16-15(17(25)22-10-3-4-10)23-14-2-1-5-21-24(14)16/h1-2,5-7,10H,3-4H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair