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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase (P70S6K)' and Ligand = 'BDBM224416'   
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))
BDBM224416
PNG
(US10080750, Compound 93 | US9321760, 93 | US966233...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H30N8O2S/c1-34(32,33)19-5-3-17(4-6-19)20(15-29-7-2-8-29)30-9-11-31(12-10-30)23-21(18-13-27-28-14-18)22(24)25-16-26-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,27,28)(H2,24,25,26)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+3n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224416
PNG
(US10080750, Compound 93 | US9321760, 93 | US966233...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H30N8O2S/c1-34(32,33)19-5-3-17(4-6-19)20(15-29-7-2-8-29)30-9-11-31(12-10-30)23-21(18-13-27-28-14-18)22(24)25-16-26-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,27,28)(H2,24,25,26)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+3n/an/an/an/a7.5n/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 US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair