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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 = 'BDBM224426'   
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))
BDBM224426
PNG
(US10080750, Compound 103 | US9321760, 103 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@@H](CN2CCC2)c2cccc(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H28F2N6/c26-20-7-5-18(6-8-20)23-24(28)29-17-30-25(23)33-13-11-32(12-14-33)22(16-31-9-2-10-31)19-3-1-4-21(27)15-19/h1,3-8,15,17,22H,2,9-14,16H2,(H2,28,29,30)/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 920n/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))
BDBM224426
PNG
(US10080750, Compound 103 | US9321760, 103 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@@H](CN2CCC2)c2cccc(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H28F2N6/c26-20-7-5-18(6-8-20)23-24(28)29-17-30-25(23)33-13-11-32(12-14-33)22(16-31-9-2-10-31)19-3-1-4-21(27)15-19/h1,3-8,15,17,22H,2,9-14,16H2,(H2,28,29,30)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 920n/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