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 = 'BDBM50216273'   

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))	BDBM50216273 (CHEMBL88399) Show SMILES COc1ccc2CCC(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2c1 Show InChI InChI=1S/C18H21NO5S/c1-22-13-6-4-12-5-8-16(15(12)10-13)19-25(20,21)14-7-9-17(23-2)18(11-14)24-3/h4,6-7,9-11,16,19H,5,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiroscience Ltd Curated by ChEMBL					Assay Description In vitro binding activity towards catalytic site of phosphodiesterase 4				Bioorg Med Chem Lett 8: 2635-40 (1999) BindingDB Entry DOI: 10.7270/Q2MP52FN
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