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SMILES: C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2N)c1

InChI Key: InChIKey=RTMXBFRXLJUUNI-MRXNPFEDSA-N

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 3 hits for monomerid = 286090   
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))
BDBM286090
PNG
((R)żN-(1-(2-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2N)c1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-17-9-10-21(31-23(17)34(16)22)24(35)30-19-13-29-33(15-19)14-18-7-5-6-8-20(18)32-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,32,37)/t16-/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 1.40E+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-2


(Homo sapiens (Human))
BDBM286090
PNG
((R)żN-(1-(2-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2N)c1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-17-9-10-21(31-23(17)34(16)22)24(35)30-19-13-29-33(15-19)14-18-7-5-6-8-20(18)32-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,32,37)/t16-/m1/s1
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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))
BDBM286090
PNG
((R)żN-(1-(2-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2N)c1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-17-9-10-21(31-23(17)34(16)22)24(35)30-19-13-29-33(15-19)14-18-7-5-6-8-20(18)32-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,32,37)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/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