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BDBM50401251 CHEMBL2206909

SMILES: CN(C)S(=O)(=O)Nc1cc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cnc1Cl

InChI Key: InChIKey=ZMAXXRHYLSDAIN-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401251   
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))
BDBM50401251
PNG
(CHEMBL2206909)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C21H27ClN10O3S/c1-13-26-20(29-21(23)27-13)16-8-14(12-32-4-6-35-7-5-32)10-25-19(16)28-15-9-17(18(22)24-11-15)30-36(33,34)31(2)3/h8-11,30H,4-7,12H2,1-3H3,(H,25,28)(H2,23,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair