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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 = 'BDBM50209603'   
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))		BDBM50209603
PNG
(CHEMBL3883390)
Show SMILES CN(CCn1ccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H21N9O4S/c1-27(9-10-29-8-6-24-16-29)20-4-3-19(31(32)33)12-22(20)36(34,35)28(2)25-14-18-15-26-30-7-5-17(13-23)11-21(18)30/h3-8,11-12,14-16H,9-10H2,1-2H3/b25-14+
PDB

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Similars
Article
PubMed
n/an/a 150n/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