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 = 'BDBM140144'   

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))	BDBM140144 (US8901315, 280) Show SMILES CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O |r,wU:8.11,wD:5.4,(9.15,1.31,;7.81,2.08,;7.81,3.62,;6.35,4.1,;5.44,2.85,;3.9,2.85,;3.13,4.19,;1.59,4.19,;.82,2.85,;1.59,1.52,;3.13,1.52,;-.72,2.85,;-1.49,1.52,;-.72,.19,;-3.03,1.52,;-3.93,2.77,;-5.4,2.29,;-6.86,2.77,;-7.63,4.1,;-7.77,1.52,;-6.86,.27,;-7.26,-1.21,;-8.75,-1.61,;-9.15,-3.1,;-8.06,-4.19,;-6.57,-3.79,;-6.17,-2.3,;-5.4,.75,;-3.93,.27,;6.35,1.61,;5.58,.27,)| Show InChI InChI=1S/C23H33N5O2S/c1-15-19-14-20(31-22(19)28(25-15)18-6-4-3-5-7-18)21(29)24-16-8-10-17(11-9-16)27-13-12-26(2)23(27)30/h14,16-18H,3-13H2,1-2H3,(H,24,29)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	4
Daiichi Sankyo Company, Limited US Patent					Assay Description The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...				US Patent US8901315 (2014) BindingDB Entry DOI: 10.7270/Q2GM860P
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