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 = 'BDBM50058062'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50058062 (CHEMBL3323128) Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 24: 4084-9 (2014) Article DOI: 10.1016/j.bmcl.2014.07.063 BindingDB Entry DOI: 10.7270/Q26D5VNC
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