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 = 'BDBM50395812'   

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))	BDBM50395812 (CHEMBL2165181) Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
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