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BDBM286084 (R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1H-pyrazole-4-carboxamide::BDBM286088::US10081632, Compound 11::US10758530, Compound 11

SMILES: COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C

InChI Key: InChIKey=FJRMMCYDWPNSIQ-LLVKDONJSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 286084   
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))
BDBM286084
PNG
((R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C |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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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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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
Ribosomal protein S6 kinase alpha 2 (RSK2)


(Homo sapiens (Human))
BDBM286084
PNG
((R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C |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
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+3n/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))
BDBM286084
PNG
((R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C |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
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+6n/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
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 COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C |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
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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