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SMILES: Nc1nc(-c2cc3CCOc4ccccc4-c3s2)c(s1)-c1ccccc1Cl

InChI Key: InChIKey=CQGQYJNSZWNZBN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426811   
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))		BDBM50426811
PNG
(CHEMBL2322500)
Show SMILES Nc1nc(-c2cc3CCOc4ccccc4-c3s2)c(s1)-c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2OS2/c22-15-7-3-1-5-13(15)20-18(24-21(23)27-20)17-11-12-9-10-25-16-8-4-2-6-14(16)19(12)26-17/h1-8,11H,9-10H2,(H2,23,24)
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n/an/a 23n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells

Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair