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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4B2' and Ligand = 'BDBM325645'   
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))
BDBM325645
PNG
(US9636336, Example 107 | US9636336, Example 108 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1csc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)c1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-13-11-23(12-14-40)21-47-36(43)34(24-7-5-4-6-8-24)39-18-27-15-26(22-49-27)35(42)48-32(17-28-29(37)19-41(44)20-30(28)38)25-9-10-31(45-2)33(16-25)46-3/h4-10,15-16,19-20,22-23,32,34,39H,11-14,17-18,21H2,1-3H3/t32-,34?/m0/s1
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))
BDBM325645
PNG
(US9636336, Example 107 | US9636336, Example 108 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1csc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)c1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-13-11-23(12-14-40)21-47-36(43)34(24-7-5-4-6-8-24)39-18-27-15-26(22-49-27)35(42)48-32(17-28-29(37)19-41(44)20-30(28)38)25-9-10-31(45-2)33(16-25)46-3/h4-10,15-16,19-20,22-23,32,34,39H,11-14,17-18,21H2,1-3H3/t32-,34?/m0/s1
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))
BDBM325645
PNG
(US9636336, Example 107 | US9636336, Example 108 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1csc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)c1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-13-11-23(12-14-40)21-47-36(43)34(24-7-5-4-6-8-24)39-18-27-15-26(22-49-27)35(42)48-32(17-28-29(37)19-41(44)20-30(28)38)25-9-10-31(45-2)33(16-25)46-3/h4-10,15-16,19-20,22-23,32,34,39H,11-14,17-18,21H2,1-3H3/t32-,34?/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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