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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4B2' and Ligand = 'BDBM325622'   
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))
BDBM325622
PNG
(US9636336, Example 12 | US9636336, Example 67 | US...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-47-33-18-26(10-12-31(33)46-3)32(19-28-29(38)21-42(45)22-30(28)39)49-36(43)34-13-11-27(50-34)20-40-35(25-8-6-5-7-9-25)37(44)48-23-24-14-16-41(2)17-15-24/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3
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))
BDBM325622
PNG
(US9636336, Example 12 | US9636336, Example 67 | US...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-47-33-18-26(10-12-31(33)46-3)32(19-28-29(38)21-42(45)22-30(28)39)49-36(43)34-13-11-27(50-34)20-40-35(25-8-6-5-7-9-25)37(44)48-23-24-14-16-41(2)17-15-24/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3
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))
BDBM325622
PNG
(US9636336, Example 12 | US9636336, Example 67 | US...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-47-33-18-26(10-12-31(33)46-3)32(19-28-29(38)21-42(45)22-30(28)39)49-36(43)34-13-11-27(50-34)20-40-35(25-8-6-5-7-9-25)37(44)48-23-24-14-16-41(2)17-15-24/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3
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