BindingDB logo
myBDB logout

null

SMILES: CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)O

InChI Key: InChIKey=OGEXLHLASSEQGO-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 3 hits for monomerid = 251616   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM251616
PNG
(US9453031, 39)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-20(2,27)16-15-17(25-8-9-28-10-12(25)11-29-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21-3/h4-7,12,27H,8-11H2,1-3H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.17E+3n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#33-016), which is a homogeneous assay to me...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM251616
PNG
(US9453031, 39)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-20(2,27)16-15-17(25-8-9-28-10-12(25)11-29-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21-3/h4-7,12,27H,8-11H2,1-3H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.18E+3n/an/an/an/a7.537



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#90-0083), which is a homogeneous assay to m...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR [1360-2549]


(Homo sapiens (Human))
BDBM251616
PNG
(US9453031, 39)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-20(2,27)16-15-17(25-8-9-28-10-12(25)11-29-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21-3/h4-7,12,27H,8-11H2,1-3H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.24E+3n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair