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 = 'BDBM50092631'   

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))	BDBM50092631 (4-(3-Cyclopentyloxy-4-methoxy-phenyl)-1-[3-iodo-5-...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2cc(I)cc(c2)C2(N=N2)C(F)(F)F)C(=O)C1 |c:29| Show InChI InChI=1S/C25H25F3IN3O3/c1-34-21-7-6-16(10-22(21)35-20-4-2-3-5-20)17-11-23(33)32(14-17)13-15-8-18(12-19(29)9-15)24(30-31-24)25(26,27)28/h6-10,12,17,20H,2-5,11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
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