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 = 'BDBM139754'   

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))	BDBM139754 (US8895549, 19) Show SMILES COc1c(OC[C@H](O)CN2CCCCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12 |r,c:36,t:19| Show InChI InChI=1S/C26H32N6O4/c1-17-19(7-6-10-27-17)25(34)30-26-29-22-20(24-28-11-14-32(24)26)8-9-21(23(22)35-2)36-16-18(33)15-31-12-4-3-5-13-31/h6-10,18,33H,3-5,11-16H2,1-2H3,(H,29,30,34)/t18-/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	2.78	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