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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 = 'BDBM50209503'   
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))		BDBM50209503
PNG
(CHEMBL3884092)
Show SMILES CN(CCc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H22N8O4S/c1-29(11-7-18-5-9-26-10-6-18)22-4-3-21(32(33)34)14-24(22)37(35,36)30(2)27-16-20-17-28-31-12-8-19(15-25)13-23(20)31/h3-6,8-10,12-14,16-17H,7,11H2,1-2H3/b27-16+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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