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 = 'BDBM50017311'   

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))	BDBM50017311 (CHEMBL3287997) Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:13.14,16.21,(37.17,-36.87,;38.11,-38.09,;39.63,-37.87,;40.58,-39.09,;39.99,-40.51,;38.48,-40.72,;37.62,-41.99,;36.14,-41.54,;36.09,-40.02,;37.54,-39.5,;34.92,-42.49,;34.92,-44.03,;33.59,-41.72,;32.25,-42.49,;32.24,-44.04,;30.92,-44.8,;29.58,-44.03,;29.57,-42.5,;30.91,-41.72,;28.24,-44.8,;26.91,-44.04,;26.9,-42.5,;25.58,-44.81,;24.24,-44.05,;22.91,-44.82,;21.57,-44.05,;22.9,-46.36,;24.25,-47.14,;25.58,-46.36,;26.92,-47.14,;26.92,-48.68,;25.58,-49.44,;25.59,-50.98,;26.92,-51.76,;28.26,-50.97,;28.25,-49.43,;29.59,-51.73,;29.6,-53.28,;30.94,-54.04,;32.27,-53.26,;33.61,-54.02,;32.25,-51.71,;30.92,-50.95,;30.91,-49.41,;32.23,-48.64,;32.11,-47.11,;33.23,-46.06,;34.75,-46.27,;35.52,-47.59,;34.98,-49.03,;33.51,-49.5,)| Show InChI InChI=1S/C39H41FN6O5/c1-25-5-2-8-36-44-35(24-46(25)36)38(49)43-30-11-9-29(10-12-30)42-37(48)34-21-28(40)22-41-39(34)51-32-7-3-6-26(20-32)33-14-13-31(47)19-27(33)23-45-15-4-17-50-18-16-45/h2-3,5-8,13-14,19-22,24,29-30,47H,4,9-12,15-18,23H2,1H3,(H,42,48)(H,43,49)/t29-,30+	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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