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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 = 'BDBM50333019'   
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))
BDBM50333019
PNG
(3-(Thiophen-3-ylethynyl)-1H-indazole | CHEMBL16319...)
Show SMILES c1cc(cs1)C#Cc1n[nH]c2ccccc12
Show InChI InChI=1S/C13H8N2S/c1-2-4-12-11(3-1)13(15-14-12)6-5-10-7-8-16-9-10/h1-4,7-9H,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50333019
PNG
(3-(Thiophen-3-ylethynyl)-1H-indazole | CHEMBL16319...)
Show SMILES c1cc(cs1)C#Cc1n[nH]c2ccccc12
Show InChI InChI=1S/C13H8N2S/c1-2-4-12-11(3-1)13(15-14-12)6-5-10-7-8-16-9-10/h1-4,7-9H,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/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