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SMILES: FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1

InChI Key: InChIKey=VNRJYXRJFNRQRD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300069   
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))
BDBM50300069
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1
Show InChI InChI=1S/C22H23F4N7O2/c23-7-8-27-21(34)29-14-3-1-13(2-4-14)18-30-19(32-10-15-5-6-16(11-32)35-15)17-9-28-33(20(17)31-18)12-22(24,25)26/h1-4,9,15-16H,5-8,10-12H2,(H2,27,29,34)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300069
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1
Show InChI InChI=1S/C22H23F4N7O2/c23-7-8-27-21(34)29-14-3-1-13(2-4-14)18-30-19(32-10-15-5-6-16(11-32)35-15)17-9-28-33(20(17)31-18)12-22(24,25)26/h1-4,9,15-16H,5-8,10-12H2,(H2,27,29,34)
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 0.230n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair