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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 = 'BDBM182586'   
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))
BDBM182586
PNG
(US9145392, 287)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=O
Show InChI InChI=1S/C26H29F4N7O/c27-21-4-3-18(13-20(21)26(28,29)30)22-14-37(12-11-35-7-1-2-8-35)24(34-22)17-5-9-36(10-6-17)25-19(15-38)23(31)32-16-33-25/h3-4,13-17H,1-2,5-12H2,(H2,31,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair