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SMILES: CCCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=BJZCOSCJHCKTJF-HNNXBMFYSA-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 = 251628   
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))
BDBM251628
PNG
(US9453031, 65)
Show SMILES CCCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30N6O4S/c1-5-10-24-21-25-16-8-6-7-9-17(16)29(21)22-26-19(23(2,3)34(4,30)31)18-20(27-22)28-11-12-32-13-15(28)14-33-18/h6-9,15H,5,10-14H2,1-4H3,(H,24,25)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+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))
BDBM251628
PNG
(US9453031, 65)
Show SMILES CCCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30N6O4S/c1-5-10-24-21-25-16-8-6-7-9-17(16)29(21)22-26-19(23(2,3)34(4,30)31)18-20(27-22)28-11-12-32-13-15(28)14-33-18/h6-9,15H,5,10-14H2,1-4H3,(H,24,25)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.65E+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))
BDBM251628
PNG
(US9453031, 65)
Show SMILES CCCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30N6O4S/c1-5-10-24-21-25-16-8-6-7-9-17(16)29(21)22-26-19(23(2,3)34(4,30)31)18-20(27-22)28-11-12-32-13-15(28)14-33-18/h6-9,15H,5,10-14H2,1-4H3,(H,24,25)/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 921n/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