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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 = 'BDBM224500'   
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))
BDBM224500
PNG
(US10080750, Compound 178 | US9321760, 178 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H25ClN6/c1-2-15-17(21)22-12-23-18(15)25-9-7-24(8-10-25)16(11-20)13-3-5-14(19)6-4-13/h3-6,12,16H,2,7-11,20H2,1H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 69n/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))
BDBM224500
PNG
(US10080750, Compound 178 | US9321760, 178 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H25ClN6/c1-2-15-17(21)22-12-23-18(15)25-9-7-24(8-10-25)16(11-20)13-3-5-14(19)6-4-13/h3-6,12,16H,2,7-11,20H2,1H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 69n/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