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BDBM50420717 CHEMBL2087477

SMILES: Cc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1

InChI Key: InChIKey=BOWQYWJYXVGKJG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420717   
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
p110α/p85α


(Homo sapiens (Human))		BDBM50420717
PNG
(CHEMBL2087477)
Show SMILES Cc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S/c1-16-22-11-17(12-23-16)19-15-28-14-18(13-26-3-5-29(6-4-26)33(2,30)31)24-20(28)21(25-19)27-7-9-32-10-8-27/h11-12,14-15H,3-10,13H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21.1n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay

Bioorg Med Chem Lett 22: 3460-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.090
BindingDB Entry DOI: 10.7270/Q26W9CCB
More data for this
Ligand-Target Pair