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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase (P70S6K)' and Ligand = 'BDBM286058'   
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM286058
PNG
(US10080750, Compound 249 | US9662330, Compound 249)
Show SMILES Nc1ncnc(N2CC[C@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-13(2-4-14)18-19(26)29-12-30-20(18)31-8-7-22(27,11-31)10-28-21(32)16-6-5-15(24)9-17(16)25/h1-6,9,12H,7-8,10-11,27H2,(H,28,32)(H2,26,29,30)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair