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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 = 'BDBM182671'   
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))
BDBM182671
PNG
(US9145392, 372)
Show SMILES CC(C)CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F4N8/c1-16(2)13-33-7-10-38-14-22(18-3-4-21(27)20(11-18)26(28,29)30)36-24(38)17-5-8-37(9-6-17)25-19(12-31)23(32)34-15-35-25/h3-4,11,14-17,33H,5-10,13H2,1-2H3,(H2,32,34,35)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/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