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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50315079'   
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))
BDBM50315079
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCC(CC2)N(C)C)cc1)N1C2CCC1COC2 |r|
Show InChI InChI=1S/C35H45N9O4/c1-23-20-47-19-18-43(23)33-38-31(39-34(40-33)44-29-12-13-30(44)22-48-21-29)24-4-8-26(9-5-24)36-35(46)37-27-10-6-25(7-11-27)32(45)42-16-14-28(15-17-42)41(2)3/h4-11,23,28-30H,12-22H2,1-3H3,(H2,36,37,46)/t23-,29?,30?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair