Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A' and Ligand = 'BDBM350889'   

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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM350889 (3-(2,6-Difluorophenyl)-8-methyl-2-neopentylthio-4-...) Show SMILES Cc1cccc2c1nc(SCC(C)(C)C)n(-c1c(F)cccc1F)c2=O |(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;2.1,.98,;.56,3.64,;2.67,3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;2.67,-3.08,;2.67,-4.62,)| Show InChI InChI=1S/C20H20F2N2OS/c1-12-7-5-8-13-16(12)23-19(26-11-20(2,3)4)24(18(13)25)17-14(21)9-6-10-15(17)22/h5-10H,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS US Patent					Assay Description Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...				US Patent US9796687 (2017) BindingDB Entry DOI: 10.7270/Q2NV9MDC
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