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

InChI Key: InChIKey=FSMNNDQUPANPBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202631   
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))		BDBM50202631
PNG
(CHEMBL3911998)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H29FN4O4S/c1-36(15-16-37)20-21-3-5-22(6-4-21)27-13-14-33-29-12-7-23(17-28(27)29)24-18-30(31(40-2)34-19-24)35-41(38,39)26-10-8-25(32)9-11-26/h3-14,17-19,35,37H,15-16,20H2,1-2H3
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Article
PubMed
n/an/a 4.80n/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