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BDBM251634 US9453031, 71

SMILES: CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O

InChI Key: InChIKey=NZTQVSPKHVTMQI-UGPWUYPHNA-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 = 251634   
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))
BDBM251634
PNG
(US9453031, 71)
Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O |r|
Show InChI InChI=1/C21H23FN4O4S/c1-21(2,31(3,27)28)18-17-20(26-6-7-29-10-13(26)11-30-17)25-19(24-18)15-8-12(22)9-16-14(15)4-5-23-16/h4-5,8-9,13,23H,6-7,10-11H2,1-3H3/t13-/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.08E+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))
BDBM251634
PNG
(US9453031, 71)
Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O |r|
Show InChI InChI=1/C21H23FN4O4S/c1-21(2,31(3,27)28)18-17-20(26-6-7-29-10-13(26)11-30-17)25-19(24-18)15-8-12(22)9-16-14(15)4-5-23-16/h4-5,8-9,13,23H,6-7,10-11H2,1-3H3/t13-/s2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/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))
BDBM251634
PNG
(US9453031, 71)
Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O |r|
Show InChI InChI=1/C21H23FN4O4S/c1-21(2,31(3,27)28)18-17-20(26-6-7-29-10-13(26)11-30-17)25-19(24-18)15-8-12(22)9-16-14(15)4-5-23-16/h4-5,8-9,13,23H,6-7,10-11H2,1-3H3/t13-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 99.3n/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