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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 = 'BDBM224451'   
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))
BDBM224451
PNG
(US10080750, Compound 128 | US9321760, 128 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O2S/c1-36(34,35)22-9-5-19(6-10-22)23(17-31-11-2-12-31)32-13-15-33(16-14-32)26-24(25(28)29-18-30-26)20-3-7-21(27)8-4-20/h3-10,18,23H,2,11-17H2,1H3,(H2,28,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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))
BDBM224451
PNG
(US10080750, Compound 128 | US9321760, 128 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O2S/c1-36(34,35)22-9-5-19(6-10-22)23(17-31-11-2-12-31)32-13-15-33(16-14-32)26-24(25(28)29-18-30-26)20-3-7-21(27)8-4-20/h3-10,18,23H,2,11-17H2,1H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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