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SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1

InChI Key: InChIKey=DXMVJFCSOHZNKG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202548   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50202548
PNG
(CHEMBL3986709)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H23FN6O3S/c1-40-30-29(36-41(38,39)25-9-7-24(31)8-10-25)15-23(16-34-30)22-6-11-28-27(14-22)26(12-13-33-28)21-4-2-20(3-5-21)17-37-19-32-18-35-37/h2-16,18-19,36H,17H2,1H3
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Article
PubMed
n/an/a 0.910n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay

Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair