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SMILES: CS(=O)(=O)c1ccc(cc1)C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1

InChI Key: InChIKey=SPXIECZWBOXZNH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50429875   
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))		BDBM50429875
PNG
(CHEMBL2333364)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H21N3O4S/c1-30(27,28)19-6-2-15(3-7-19)22(26)25-10-11-29-20-8-4-16(12-18(20)14-25)17-5-9-21(23)24-13-17/h2-9,12-13H,10-11,14H2,1H3,(H2,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay

J Med Chem 56: 2218-34 (2013)


Article DOI: 10.1021/jm3007933
BindingDB Entry DOI: 10.7270/Q2ZC847X
More data for this
Ligand-Target Pair