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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 = 'BDBM35591'   
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))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.450n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair