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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4B2' and Ligand = 'BDBM325647'   
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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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