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 = 'BDBM50473086'   

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))	BDBM50473086 (CHEMBL357616) Show SMILES CC(C)(C)OC(=O)Nc1cnccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cccc3CCN(c23)C1=O |t:19| Show InChI InChI=1S/C28H27N5O4/c1-28(2,3)37-27(36)30-21-16-29-14-12-19(21)25(34)32-24-26(35)33-15-13-18-10-7-11-20(23(18)33)22(31-24)17-8-5-4-6-9-17/h4-12,14,16,24H,13,15H2,1-3H3,(H,30,36)(H,32,34)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase type 4 isozyme (PDE4) from the U937 human cell line.				J Med Chem 43: 4850-67 (2000) Article DOI: 10.1021/jm000315p BindingDB Entry DOI: 10.7270/Q25M68FS
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