Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D' and Ligand = 'BDBM50017101'   

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 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50017101 (7,8-Dimethoxy-1,2,3a,4,5,9b-hexahydro-benzo[e]isoi...) Show SMILES COc1cc2CC[C@H]3[C@@H](CNC3=O)c2cc1OC Show InChI InChI=1S/C14H17NO3/c1-17-12-5-8-3-4-9-11(7-15-14(9)16)10(8)6-13(12)18-2/h5-6,9,11H,3-4,7H2,1-2H3,(H,15,16)/t9-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE.				J Med Chem 32: 1450-7 (1989) BindingDB Entry DOI: 10.7270/Q2DN441H
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