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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 = 'BDBM50092781'   
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))
BDBM50092781
PNG
(CHEMBL3586386)
Show SMILES Cc1nc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(25-13)19-23-12-24-28-19)17-10-22-20-21(26-17)29(11-18(30)27-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,27,30)(H,23,24,28)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092781
PNG
(CHEMBL3586386)
Show SMILES Cc1nc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(25-13)19-23-12-24-28-19)17-10-22-20-21(26-17)29(11-18(30)27-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,27,30)(H,23,24,28)
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 90n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair