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BDBM251641 US9453031, 78

SMILES: COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCC2)S(C)(=O)=O)c2cc[nH]c2c1

InChI Key: InChIKey=LHRIYJCJTRNFGT-YQTOOIBONA-N

Data: 2 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 2 hits for monomerid = 251641   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251641
PNG
(US9453031, 78)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/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
p110α/p85α


(Homo sapiens (Human))
BDBM251641
PNG
(US9453031, 78)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.49E+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