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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 = 'BDBM224521'   
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))
BDBM224521
PNG
(US10080750, Compound 199 | US9321760, 199 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/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)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224521
PNG
(US10080750, Compound 199 | US9321760, 199 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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