Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3' and Ligand = 'BDBM114223'   

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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human))	BDBM114223 (2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-...) Show SMILES CCOC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C |(18.96,3.28,;17.46,3.6,;16.43,2.46,;14.92,2.78,;14.45,4.24,;13.89,1.64,;12.38,1.96,;11.35,.82,;11.67,-.69,;10.33,-1.46,;9.19,-.43,;7.68,-.74,;7.2,-2.21,;5.75,-2.68,;4.41,-1.91,;3.08,-2.68,;3.08,-4.22,;4.41,-4.99,;5.75,-4.22,;7.2,-4.68,;8.1,-3.45,;9.64,-3.45,;9.82,.98,;9.05,2.32,;7.51,2.32,;6.74,3.65,;7.52,4.99,;9.06,4.98,;9.82,3.65,;11.36,3.65,)| Show InChI InChI=1S/C21H20N4O3S2/c1-3-28-19(26)13-29-20-23-22-18(25(20)15-9-5-4-8-14(15)2)12-24-16-10-6-7-11-17(16)30-21(24)27/h4-11H,3,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
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