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BDBM50396317 CHEMBL2172634

SMILES: Cc1nc(Nc2cnn(c2)C2CCOC2)cc(n1)-c1c(Nc2ccn[nH]2)nc2cccnn12

InChI Key: InChIKey=BODKINCAIVHOBM-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 = 50396317   
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))
BDBM50396317
PNG
(CHEMBL2172634)
Show SMILES Cc1nc(Nc2cnn(c2)C2CCOC2)cc(n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C21H21N11O/c1-13-25-16(9-18(26-13)27-14-10-24-31(11-14)15-5-8-33-12-15)20-21(28-17-4-7-22-30-17)29-19-3-2-6-23-32(19)20/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H2,22,28,30)(H,25,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/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))
BDBM50396317
PNG
(CHEMBL2172634)
Show SMILES Cc1nc(Nc2cnn(c2)C2CCOC2)cc(n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C21H21N11O/c1-13-25-16(9-18(26-13)27-14-10-24-31(11-14)15-5-8-33-12-15)20-21(28-17-4-7-22-30-17)29-19-3-2-6-23-32(19)20/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H2,22,28,30)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/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