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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50333016'   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50333016
PNG
(3-(Pyridin-2-ylethynyl)-1H-pyrazolo[3,4-b]pyridine...)
Show SMILES c1cncc(c1)C#Cc1n[nH]c2ncccc12
Show InChI InChI=1S/C13H8N4/c1-3-10(9-14-7-1)5-6-12-11-4-2-8-15-13(11)17-16-12/h1-4,7-9H,(H,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen Eu kinase binding assay


J Med Chem 53: 8368-8375 (2010)


Article DOI: 10.1021/jm100825h
BindingDB Entry DOI: 10.7270/Q2NP24PS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50333016
PNG
(3-(Pyridin-2-ylethynyl)-1H-pyrazolo[3,4-b]pyridine...)
Show SMILES c1cncc(c1)C#Cc1n[nH]c2ncccc12
Show InChI InChI=1S/C13H8N4/c1-3-10(9-14-7-1)5-6-12-11-4-2-8-15-13(11)17-16-12/h1-4,7-9H,(H,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 expressed in HEK293 cells assessed as PRAS40 Ser183 phosphorylation level by LanthaScreen cellular assay


J Med Chem 53: 8368-8375 (2010)


Article DOI: 10.1021/jm100825h
BindingDB Entry DOI: 10.7270/Q2NP24PS
More data for this
Ligand-Target Pair