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SMILES: C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1cccc2[nH]ccc12)N1CCC(O)CC1

InChI Key: InChIKey=JFQQDYBSDHBVEK-UXPDKRSESA-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 = 151003   
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))
BDBM151003
PNG
(US8987257, 16)
Show SMILES C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1cccc2[nH]ccc12)N1CCC(O)CC1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-14-13-32-12-11-30(14)22-19-21(27-23(28-22)29-9-6-15(31)7-10-29)26-20(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,14-15,31H,6-7,9-13H2,1H3/b20-17-/t14-/m0/s1
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 160n/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))
BDBM151003
PNG
(US8987257, 16)
Show SMILES C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1cccc2[nH]ccc12)N1CCC(O)CC1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-14-13-32-12-11-30(14)22-19-21(27-23(28-22)29-9-6-15(31)7-10-29)26-20(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,14-15,31H,6-7,9-13H2,1H3/b20-17-/t14-/m0/s1
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 7.30E+3n/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