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BDBM125443 US8772480, 298

SMILES: COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2(O)CC2)cc1F

InChI Key: InChIKey=LDEKSEIDMAEWQY-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 125443   
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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125443
PNG
(US8772480, 298)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2(O)CC2)cc1F
Show InChI InChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125443
PNG
(US8772480, 298)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2(O)CC2)cc1F
Show InChI InChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26)
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UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminally GST-tagged mTOR (1360 to 2549 aa) (unknown origin) assessed as inhibition of 27BP1 phosphorylation after 90 mi...


Bioorg Med Chem Lett 24: 5630-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.085
BindingDB Entry DOI: 10.7270/Q2GQ70CS
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125443
PNG
(US8772480, 298)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2(O)CC2)cc1F
Show InChI InChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 242n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair