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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-1' and Ligand = 'BDBM182374'   
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 beta-1


(Homo sapiens (Human))
BDBM182374
PNG
(US9145392, 75)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C24H26ClFN8/c25-19-12-17(2-3-20(19)26)21-14-34(11-10-32-6-1-7-32)23(31-21)16-4-8-33(9-5-16)24-18(13-27)22(28)29-15-30-24/h2-3,12,14-16H,1,4-11H2,(H2,28,29,30)
PDB
MMDB

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KEGG

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PC cid
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Similars

US Patent
n/an/a 1n/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