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SMILES: Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O

InChI Key: InChIKey=MJKNDQVAWMECBQ-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 = 50177666   
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))
BDBM50177666
PNG
(CHEMBL3813906)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O
Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl...


ACS Med Chem Lett 7: 351-6 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05QD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50177666
PNG
(CHEMBL3813906)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O
Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
950n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a...


ACS Med Chem Lett 7: 351-6 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05QD
More data for this
Ligand-Target Pair