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SMILES: C1CN(CCO1)c1nc(N2CCOCC2)c2nc([nH]c2n1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=SJCXYQGBFKEGFT-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 = 151014   
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))
BDBM151014
PNG
(US8987257, 27)
Show SMILES C1CN(CCO1)c1nc(N2CCOCC2)c2nc([nH]c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H22N8O2/c1-2-13(14-12-21-26-15(14)3-1)17-22-16-18(23-17)24-20(28-6-10-30-11-7-28)25-19(16)27-4-8-29-9-5-27/h1-3,12H,4-11H2,(H,21,26)(H,22,23,24,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 340n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
IC50s for mTOR interacting compounds were assessed using the FRAP1/mTOR TR-FRET tracer assay (Invitrogen by Life Technologies). FRAP1/mTOR (PV4753) a...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM151014
PNG
(US8987257, 27)
Show SMILES C1CN(CCO1)c1nc(N2CCOCC2)c2nc([nH]c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H22N8O2/c1-2-13(14-12-21-26-15(14)3-1)17-22-16-18(23-17)24-20(28-6-10-30-11-7-28)25-19(16)27-4-8-29-9-5-27/h1-3,12H,4-11H2,(H,21,26)(H,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 40n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
PI3K KinaseGlo assay: 50 mL of compound dilutions were dispensed onto black 384-well low volume Non Binding Styrene (NBS) plates (Costar Cat. No. NBS...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair