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 = 'BDBM139731'   

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))	BDBM139731 (US8895549, 28) Show SMILES COc1c(OC[C@H](O)CN2CC3CCC(C2)O3)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C25H30N8O5/c1-36-21-19(37-13-15(34)10-32-11-16-2-3-17(12-32)38-16)5-4-18-20(21)30-25(33-7-6-27-22(18)33)31-23(35)14-8-28-24(26)29-9-14/h4-5,8-9,15-17,34H,2-3,6-7,10-13H2,1H3,(H2,26,28,29)(H,30,31,35)/t15-,16?,17?/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	4.71	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
					More data for this Ligand-Target Pair