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/beta/delta/gamma isoform' and Ligand = 'BDBM170087'   

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/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170087 (US9073940, 445) Show SMILES COCCNCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r| Show InChI InChI=1S/C25H35N5O5S/c1-34-14-9-26-8-11-28-10-4-5-19(17-28)30-24-20-6-2-3-7-22(20)36(32,33)18-21(24)23(27-30)25(31)29-12-15-35-16-13-29/h2-3,6-7,19,26H,4-5,8-18H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
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