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BDBM251608 US9453031, 31

SMILES: CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=MPXUUMJYLCHFAB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 251608   
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
p110α/p85α


(Homo sapiens (Human))
BDBM251608
PNG
(US9453031, 31)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28N6O4S/c1-22(2,33(4,29)30)18-17-19(27-10-12-31-13-14(27)9-11-32-17)26-21(25-18)28-16-8-6-5-7-15(16)24-20(28)23-3/h5-8,14H,9-13H2,1-4H3,(H,23,24)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.50E+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


(Homo sapiens (Human))
BDBM251608
PNG
(US9453031, 31)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28N6O4S/c1-22(2,33(4,29)30)18-17-19(27-10-12-31-13-14(27)9-11-32-17)26-21(25-18)28-16-8-6-5-7-15(16)24-20(28)23-3/h5-8,14H,9-13H2,1-4H3,(H,23,24)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.88E+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


(Homo sapiens (Human))
BDBM251608
PNG
(US9453031, 31)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28N6O4S/c1-22(2,33(4,29)30)18-17-19(27-10-12-31-13-14(27)9-11-32-17)26-21(25-18)28-16-8-6-5-7-15(16)24-20(28)23-3/h5-8,14H,9-13H2,1-4H3,(H,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 586n/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