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BDBM224352 US10080750, Compound 29::US9321760, 29::US9662330, Compound 29

SMILES: Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1

InChI Key: InChIKey=ITIQMTLGCGOCCV-UHFFFAOYSA-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 = 224352   
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 (P70S6K)


(Homo sapiens (Human))
BDBM224352
PNG
(US10080750, Compound 29 | US9321760, 29 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C19H22BrN7/c1-25-8-7-22-19(25)16(14-5-3-2-4-6-14)26-9-11-27(12-10-26)18-15(20)17(21)23-13-24-18/h2-8,13,16H,9-12H2,1H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224352
PNG
(US10080750, Compound 29 | US9321760, 29 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C19H22BrN7/c1-25-8-7-22-19(25)16(14-5-3-2-4-6-14)26-9-11-27(12-10-26)18-15(20)17(21)23-13-24-18/h2-8,13,16H,9-12H2,1H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224352
PNG
(US10080750, Compound 29 | US9321760, 29 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C19H22BrN7/c1-25-8-7-22-19(25)16(14-5-3-2-4-6-14)26-9-11-27(12-10-26)18-15(20)17(21)23-13-24-18/h2-8,13,16H,9-12H2,1H3,(H2,21,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10080750 (2018)

More data for this
Ligand-Target Pair