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SMILES: Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1

InChI Key: InChIKey=JAUIOJAQQTUDNL-UHFFFAOYSA-N

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 2 hits for monomerid = 50384261   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384261
PNG
(CHEMBL2030439)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50384261
PNG
(CHEMBL2030439)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair