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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4B2' and Ligand = 'BDBM325716'   
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
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325716
PNG
(US9636336, Example 120 | US9636336, Example 125 | ...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-4-48-33-17-24(8-10-31(33)47-3)32(18-28-29(38)20-42(46)21-30(28)39)50-36(44)34-11-9-27(51-34)19-40-35(25-6-5-7-26(43)16-25)37(45)49-22-23-12-14-41(2)15-13-23/h5-11,16-17,20-21,23,32,35,40,43H,4,12-15,18-19,22H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325716
PNG
(US9636336, Example 120 | US9636336, Example 125 | ...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-4-48-33-17-24(8-10-31(33)47-3)32(18-28-29(38)20-42(46)21-30(28)39)50-36(44)34-11-9-27(51-34)19-40-35(25-6-5-7-26(43)16-25)37(45)49-22-23-12-14-41(2)15-13-23/h5-11,16-17,20-21,23,32,35,40,43H,4,12-15,18-19,22H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair