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 = 'BDBM50328098'   

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))	BDBM50328098 (5-Isobutyl-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-...) Show SMILES CC(C)Cc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12 Show InChI InChI=1S/C25H35N5OS/c1-16(2)13-19-17-5-6-25(3,4)14-18(17)20-21-22(32-24(20)29-19)23(28-15-27-21)26-7-8-30-9-11-31-12-10-30/h15-16H,5-14H2,1-4H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of PDE4A4 expressed in yeast				J Med Chem 53: 6912-22 (2010) Article DOI: 10.1021/jm100524j BindingDB Entry DOI: 10.7270/Q2J966K2
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