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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-3' and Ligand = 'BDBM286084'   
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 alpha-3


(Homo sapiens (Human))
BDBM286084
PNG
((R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3n12 |r|
Show InChI InChI=1S/C18H23BrN2O4/c1-11(10-20-17(23)25-18(2,3)4)21-14-9-13(19)7-6-12(14)8-15(21)16(22)24-5/h6-9,11H,10H2,1-5H3,(H,20,23)/t11-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.40E+4n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)


BindingDB Entry DOI: 10.7270/Q2VT1V45
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM286084
PNG
((R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3n12 |r|
Show InChI InChI=1S/C18H23BrN2O4/c1-11(10-20-17(23)25-18(2,3)4)21-14-9-13(19)7-6-12(14)8-15(21)16(22)24-5/h6-9,11H,10H2,1-5H3,(H,20,23)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+6n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)


BindingDB Entry DOI: 10.7270/Q2VT1V45
More data for this
Ligand-Target Pair