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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 251662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM251662
PNG
(US9453031, 87)
Show SMILES CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H23ClN6O4S/c1-23-19-24-14-4-3-12(22)9-15(14)28(19)20-25-17(21(5-6-21)33(2,29)30)16-18(26-20)27-7-8-31-10-13(27)11-32-16/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,23,24)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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))
BDBM251662
PNG
(US9453031, 87)
Show SMILES CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H23ClN6O4S/c1-23-19-24-14-4-3-12(22)9-15(14)28(19)20-25-17(21(5-6-21)33(2,29)30)16-18(26-20)27-7-8-31-10-13(27)11-32-16/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,23,24)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM251662
PNG
(US9453031, 87)
Show SMILES CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H23ClN6O4S/c1-23-19-24-14-4-3-12(22)9-15(14)28(19)20-25-17(21(5-6-21)33(2,29)30)16-18(26-20)27-7-8-31-10-13(27)11-32-16/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,23,24)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+4n/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