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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 = 'BDBM286094'   
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))
BDBM286094
PNG
((R)żN-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1
Show InChI InChI=1S/C22H21N7O2/c1-13-9-24-22(31)19-8-15-4-7-18(27-20(15)29(13)19)21(30)26-17-10-25-28(12-17)11-14-2-5-16(23)6-3-14/h2-8,10,12-13H,9,11,23H2,1H3,(H,24,31)(H,26,30)/t13-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGN

US Patent


Assay Description
Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...


US Patent US9771366 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM286094
PNG
((R)żN-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1
Show InChI InChI=1S/C22H21N7O2/c1-13-9-24-22(31)19-8-15-4-7-18(27-20(15)29(13)19)21(30)26-17-10-25-28(12-17)11-14-2-5-16(23)6-3-14/h2-8,10,12-13H,9,11,23H2,1H3,(H,24,31)(H,26,30)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+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)

More data for this
Ligand-Target Pair