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 = 'BDBM50216289'   

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))	BDBM50216289 (CHEMBL88384) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C1CCc2ccccc12 Show InChI InChI=1S/C20H22N2O4S/c1-25-19-11-9-16(14-20(19)26-2)27(23,24)22(13-5-12-21)18-10-8-15-6-3-4-7-17(15)18/h3-4,6-7,9,11,14,18H,5,8,10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+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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