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 = 'BDBM50017312'   

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))	BDBM50017312 (CHEMBL3287998) Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1 |r,wU:30.35,27.28,(39.15,-11.76,;37.81,-10.99,;37.8,-9.46,;36.48,-11.77,;36.5,-13.31,;37.83,-14.07,;37.85,-15.62,;39.19,-16.38,;36.51,-16.39,;35.18,-15.63,;35.17,-14.09,;33.84,-13.33,;32.5,-14.11,;31.17,-13.34,;31.16,-11.8,;32.5,-11.03,;32.5,-9.49,;31.16,-8.72,;29.82,-9.49,;28.48,-8.72,;28.48,-7.17,;27.15,-6.41,;29.82,-6.4,;31.16,-7.16,;32.49,-6.39,;32.48,-4.85,;33.82,-7.15,;35.15,-6.38,;36.5,-7.15,;37.82,-6.39,;37.82,-4.85,;36.49,-4.07,;35.15,-4.85,;39.17,-4.07,;40.5,-4.85,;40.5,-6.39,;41.72,-3.9,;41.67,-2.37,;43.12,-1.85,;43.69,-.44,;45.21,-.23,;45.78,1.21,;46.15,-1.44,;45.57,-2.86,;44.06,-3.07,;43.2,-4.34,;33.83,-11.79,)| Show InChI InChI=1S/C35H34F2N6O4/c1-42(2)18-22-14-27(44)11-12-29(22)21-4-3-5-28(15-21)47-35-30(16-24(37)17-38-35)33(45)39-25-7-9-26(10-8-25)40-34(46)31-20-43-19-23(36)6-13-32(43)41-31/h3-6,11-17,19-20,25-26,44H,7-10,18H2,1-2H3,(H,39,45)(H,40,46)/t25-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis				J Med Chem 57: 4661-76 (2014) Article DOI: 10.1021/jm5001216 BindingDB Entry DOI: 10.7270/Q2708302
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