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BDBM50396324 CHEMBL2172627

SMILES: CNc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12

InChI Key: InChIKey=BMRLEHIKKZUCGW-UHFFFAOYSA-N

Data: 2 IC50

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 = 50396324   
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))
BDBM50396324
PNG
(CHEMBL2172627)
Show SMILES CNc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C15H15N9/c1-9-19-10(8-12(16-2)20-9)14-15(21-11-5-7-17-23-11)22-13-4-3-6-18-24(13)14/h3-8H,1-2H3,(H,16,19,20)(H2,17,21,23)
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 63n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396324
PNG
(CHEMBL2172627)
Show SMILES CNc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C15H15N9/c1-9-19-10(8-12(16-2)20-9)14-15(21-11-5-7-17-23-11)22-13-4-3-6-18-24(13)14/h3-8H,1-2H3,(H,16,19,20)(H2,17,21,23)
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 1.14E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by AlphaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair