Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50072205'   

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 (Homo sapiens (Human))	BDBM50072205 (4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-cyclopropy...) Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCC3CC3)cc2n1 Show InChI InChI=1S/C29H34N2O4/c1-3-28-30-25-14-27(35-17-20-8-9-20)26(32-2)13-24(25)29(31-28)21-10-22(33-15-18-4-5-18)12-23(11-21)34-16-19-6-7-19/h10-14,18-20H,3-9,15-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Evaluated for its ability to inhibit PDE4A.				Bioorg Med Chem Lett 8: 2891-6 (1999) BindingDB Entry DOI: 10.7270/Q2PG1QVX
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