Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50501413'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50501413 (CHEMBL4079545) Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r| Show InChI InChI=1S/C21H16ClF2N9O/c22-11-2-1-3-12-14(11)20(34)33(13-6-7-27-32-13)19(28-12)15(9-4-5-9)29-18-10(8-25)16(17(23)24)30-21(26)31-18/h1-3,6-7,9,15,17H,4-5H2,(H,27,32)(H3,26,29,30,31)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
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