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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 = 'BDBM224462'   
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))
BDBM224462
PNG
(US10080750, Compound 140 | US9321760, 140 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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))
BDBM224462
PNG
(US10080750, Compound 140 | US9321760, 140 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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