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 = 'BDBM208811'   

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))	BDBM208811 (US9266878, 36a) Show SMILES Nc1ncnc(N2CCCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#Cc1ccccn1 Show InChI InChI=1S/C30H24ClN7O/c31-23-12-8-13-24-26(23)30(39)38(21-10-2-1-3-11-21)29(36-24)25-14-5-7-18-37(25)28-22(27(32)34-19-35-28)16-15-20-9-4-6-17-33-20/h1-4,6,8-13,17,19,25H,5,7,14,18H2,(H2,32,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
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