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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 = 'BDBM50209606'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50209606
PNG
(CHEMBL3884711)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C20H24BrN7O4S/c1-14(17-13-22-27-8-7-15(21)11-19(17)27)23-24-33(31,32)20-12-16(28(29)30)5-6-18(20)26(4)10-9-25(2)3/h5-8,11-13,24H,9-10H2,1-4H3/b23-14+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...

Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair