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SMILES: C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1

InChI Key: InChIKey=LLJNOVYIPCASQO-CQSZACIVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286093   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM286093
PNG
((R)-9-methyl-N-(1-((1-methylpiperidin-4-yl)methyl)...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-14-10-23-22(31)19-9-16-3-4-18(26-20(16)29(14)19)21(30)25-17-11-24-28(13-17)12-15-5-7-27(2)8-6-15/h3-4,9,11,13-15H,5-8,10,12H2,1-2H3,(H,23,31)(H,25,30)/t14-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.24E+5n/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-2


(Homo sapiens (Human))
BDBM286093
PNG
((R)-9-methyl-N-(1-((1-methylpiperidin-4-yl)methyl)...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-14-10-23-22(31)19-9-16-3-4-18(26-20(16)29(14)19)21(30)25-17-11-24-28(13-17)12-15-5-7-27(2)8-6-15/h3-4,9,11,13-15H,5-8,10,12H2,1-2H3,(H,23,31)(H,25,30)/t14-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 124n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...


US Patent US10758530 (2020)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM286093
PNG
((R)-9-methyl-N-(1-((1-methylpiperidin-4-yl)methyl)...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-14-10-23-22(31)19-9-16-3-4-18(26-20(16)29(14)19)21(30)25-17-11-24-28(13-17)12-15-5-7-27(2)8-6-15/h3-4,9,11,13-15H,5-8,10,12H2,1-2H3,(H,23,31)(H,25,30)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.24E+5n/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)


BindingDB Entry DOI: 10.7270/Q2862JK5
More data for this
Ligand-Target Pair