BindingDB logo
myBDB logout

null

SMILES: CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1

InChI Key: InChIKey=ZLCCZODSXXODNP-UHFFFAOYSA-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 4 hits for monomerid = 50495499   
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))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 227n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair