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BDBM50387584 CHEMBL2057733

SMILES: CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O

InChI Key: InChIKey=PLQOTJUBZZMTRG-UHFFFAOYSA-N

Data: 2 KI

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 = 50387584   
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))
BDBM50387584
PNG
(CHEMBL2057733)
Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
123n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387584
PNG
(CHEMBL2057733)
Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
827n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair