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 = 'BDBM50017315'   

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))	BDBM50017315 (CHEMBL3288001) Show SMILES Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:11.11,14.18,(55.81,-27.02,;55.81,-25.48,;57.14,-24.72,;57.14,-23.18,;55.8,-22.41,;54.48,-23.18,;53.15,-22.42,;54.49,-24.71,;53.16,-25.48,;53.16,-27.02,;51.82,-24.7,;50.48,-25.48,;49.14,-24.7,;47.8,-25.48,;47.81,-27.02,;49.15,-27.79,;50.48,-27.02,;46.47,-27.79,;45.14,-27.03,;45.13,-25.48,;43.8,-27.8,;42.47,-27.04,;41.13,-27.81,;39.8,-27.04,;41.13,-29.35,;42.47,-30.13,;43.81,-29.35,;45.15,-30.12,;45.15,-31.67,;43.81,-32.43,;43.81,-33.97,;45.15,-34.75,;46.49,-33.96,;46.48,-32.42,;47.83,-34.73,;47.83,-36.27,;49.17,-37.03,;50.5,-36.26,;51.84,-37.02,;50.49,-34.71,;49.15,-33.95,;49.14,-32.4,;50.47,-31.63,;50.34,-30.1,;51.46,-29.04,;52.99,-29.25,;53.76,-30.58,;53.21,-32.02,;51.74,-32.48,)| Show InChI InChI=1S/C38H41FN4O6/c1-24-5-2-8-34(45)35(24)37(47)42-29-11-9-28(10-12-29)41-36(46)33-21-27(39)22-40-38(33)49-31-7-3-6-25(20-31)32-14-13-30(44)19-26(32)23-43-15-4-17-48-18-16-43/h2-3,5-8,13-14,19-22,28-29,44-45H,4,9-12,15-18,23H2,1H3,(H,41,46)(H,42,47)/t28-,29+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0316	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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