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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM354670'   
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))
BDBM354670
PNG
(US9809582, Example 14)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:39.41,(-7.34,-8.08,;-6,-8.85,;-4.67,-8.08,;-3.33,-8.85,;-2,-8.08,;-2,-6.54,;-3.33,-5.77,;-4.67,-6.54,;-6,-5.78,;-7.34,-6.54,;-.67,-5.78,;.67,-6.54,;2,-5.78,;3.33,-6.54,;3.33,-8.08,;4.67,-5.78,;4.67,-4.23,;6,-3.46,;3.33,-3.47,;2,-4.23,;.67,-3.47,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;-2,-1.93,;-3.33,-1.15,;-3.33,.38,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;.67,5.78,;-.67,5,;-.67,3.47,;2,6.54,;2,8.08,;3.33,5.78,;4.67,6.54,;6,5.78,;7.34,6.54,;7.34,8.08,;6,8.85,;4.67,8.08,;5.44,6.75,;6.53,7.84,;-.67,6.54,;-.67,8.08,;-2,8.85,;-3.33,8.08,;-3.33,6.54,;-2,5.78,;-.67,-1.15,)|
Show InChI InChI=1S/C42H45Cl2N3O7/c1-51-36-12-11-30(22-38(36)52-2)37(23-33-34(43)25-47(50)26-35(33)44)53-40(48)31-8-6-7-28(21-31)24-46-19-15-42(16-20-46,32-9-4-3-5-10-32)41(49)54-39-27-45-17-13-29(39)14-18-45/h3-12,21-22,25-26,29,37,39H,13-20,23-24,27H2,1-2H3/t37-,39-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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 US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair