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SMILES: Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1cn[nH]c1

InChI Key: InChIKey=AYBCFRKVAGQMNJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380318   
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))		BDBM50380318
PNG
(CHEMBL2017651)
Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1cn[nH]c1
Show InChI InChI=1S/C18H15ClN4OS/c19-14-3-1-12(2-4-14)16-15(9-20)18(23-5-7-24-8-6-23)25-17(16)13-10-21-22-11-13/h1-4,10-11H,5-8H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 175n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha

ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
More data for this
Ligand-Target Pair