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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 = 'BDBM354675'   
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))		BDBM354675
PNG
(US9809582, Example 19)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,31.34,wD:31.33,36.37,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;-1.13,6.47,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,4.74,;-2.94,5.83,;-4.43,5.43,;-4.83,3.94,;-3.74,2.85,;-2.25,3.25,;.11,-1.66,)|
Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37+/m0/s1
PDB

UniProtKB/SwissProt

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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