Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM116010'   

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 alpha isoform (Homo sapiens (Human))	BDBM116010 (US8633183, E-159) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(COC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C27H25ClFN5O2/c1-2-22-19(5-3-17-4-6-23(30)31-13-17)25(33-16-32-22)18-11-20(28)24(21(29)12-18)26(35)34-9-7-27(8-10-34)14-36-15-27/h4,6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,31)	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	25.8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
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