Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM139756'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM139756 (US8895549, 23) Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3ccc(N)nc3C)=Nc12 |r,c:37,t:19| Show InChI InChI=1S/C25H31N7O5/c1-15-17(4-6-20(26)28-15)24(34)30-25-29-21-18(23-27-7-8-32(23)25)3-5-19(22(21)35-2)37-14-16(33)13-31-9-11-36-12-10-31/h3-6,16,33H,7-14H2,1-2H3,(H2,26,28)(H,29,30,34)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was...				US Patent US8895549 (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZWF
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