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SMILES: Oc1cccc(c1)-c1nc(nc2cccnc12)N1CCOCC1

InChI Key: InChIKey=YVLVIUASDJALDE-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 = 50495497   
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))
BDBM50495497
PNG
(CHEMBL3109115)
Show SMILES Oc1cccc(c1)-c1nc(nc2cccnc12)N1CCOCC1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-16-14(5-2-6-18-16)19-17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 453n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495497
PNG
(CHEMBL3109115)
Show SMILES Oc1cccc(c1)-c1nc(nc2cccnc12)N1CCOCC1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-16-14(5-2-6-18-16)19-17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair