Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM144403'   

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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144403 (US8969376, 1.081) Show SMILES CCc1nc2ccccc2nc1-c1cc2nc(cc(N[C@H]3CC[C@@H](CC3)OC)n2n1)N1CC[C@@H](F)C1 |r,wU:20.21,wD:33.38,23.28,(-4.03,4.64,;-3.26,3.3,;-4.03,1.97,;-5.57,1.97,;-6.34,.64,;-7.88,.64,;-8.65,-.7,;-7.88,-2.03,;-6.34,-2.03,;-5.57,-.7,;-4.03,-.7,;-3.26,.64,;-1.72,.64,;-.82,1.88,;.65,1.41,;1.98,2.18,;3.32,1.41,;3.32,-.13,;1.98,-.9,;1.98,-2.44,;3.32,-3.21,;4.65,-2.44,;5.98,-3.21,;6.03,-4.78,;4.65,-5.52,;3.32,-4.75,;7.36,-5.55,;8.7,-4.78,;.65,-.13,;-.82,-.61,;4.65,2.18,;6.11,1.7,;7.02,2.95,;6.11,4.19,;6.88,5.52,;4.65,3.72,)| Show InChI InChI=1S/C27H32FN7O/c1-3-20-27(31-22-7-5-4-6-21(22)30-20)23-14-25-32-24(34-13-12-17(28)16-34)15-26(35(25)33-23)29-18-8-10-19(36-2)11-9-18/h4-7,14-15,17-19,29H,3,8-13,16H2,1-2H3/t17-,18-,19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
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