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BDBM50107379 CHEMBL3601467

SMILES: Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cccn2n1

InChI Key: InChIKey=YBCPJPGLOVNLRF-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50107379   
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))
BDBM50107379
PNG
(CHEMBL3601467)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cccn2n1
Show InChI InChI=1S/C15H16N6O/c16-13-4-3-11(10-17-13)14-18-15(20-6-8-22-9-7-20)12-2-1-5-21(12)19-14/h1-5,10H,6-9H2,(H2,16,17)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay


Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair