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BDBM50107376 CHEMBL3601470

SMILES: Nc1ncc(s1)-c1nc(N2CCOCC2)c2cccn2n1

InChI Key: InChIKey=DHRVNMSBGWZKGS-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 = 50107376   
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))
BDBM50107376
PNG
(CHEMBL3601470)
Show SMILES Nc1ncc(s1)-c1nc(N2CCOCC2)c2cccn2n1
Show InChI InChI=1S/C13H14N6OS/c14-13-15-8-10(21-13)11-16-12(18-4-6-20-7-5-18)9-2-1-3-19(9)17-11/h1-3,8H,4-7H2,(H2,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/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