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BDBM286092 (R)-1-(3-aminobenzyl)-N-(9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrazole-4-carboxamide::BDBM342170::US10081632, Compound 19::US10758530, Compound 19

SMILES: C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(NC(=O)OC(C)(C)C)c5)c4)nc3n12

InChI Key: InChIKey=ANPAIGHTTKYVNM-MRXNPFEDSA-N

Data: 3 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 3 hits for monomerid = 286092   
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))
BDBM286092
PNG
((R)-1-(3-aminobenzyl)-N-(9-methyl-6-oxo-6,7,8,9-te...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(NC(=O)OC(C)(C)C)c5)c4)nc3n12 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)21-11-18-8-9-22(31-23(18)34(16)21)32-24(35)19-13-29-33(15-19)14-17-6-5-7-20(10-17)30-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,37)(H,31,32,35)/t16-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.23E+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))
BDBM286092
PNG
((R)-1-(3-aminobenzyl)-N-(9-methyl-6-oxo-6,7,8,9-te...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(NC(=O)OC(C)(C)C)c5)c4)nc3n12 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)21-11-18-8-9-22(31-23(18)34(16)21)32-24(35)19-13-29-33(15-19)14-17-6-5-7-20(10-17)30-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,37)(H,31,32,35)/t16-/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 123n/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))
BDBM286092
PNG
((R)-1-(3-aminobenzyl)-N-(9-methyl-6-oxo-6,7,8,9-te...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(NC(=O)OC(C)(C)C)c5)c4)nc3n12 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)21-11-18-8-9-22(31-23(18)34(16)21)32-24(35)19-13-29-33(15-19)14-17-6-5-7-20(10-17)30-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,37)(H,31,32,35)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.23E+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