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BDBM224472 US10080750, Compound 150::US9321760, 150::US9662330, Compound 150

SMILES: CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=DUHHFQYAMVYUDD-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 = 224472   
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))
BDBM224472
PNG
(US10080750, Compound 150 | US9321760, 150 | US9662...)
Show SMILES CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H32F2N6/c1-33(2)16-13-30-24(19-5-9-22(28)10-6-19)20-11-14-34(15-12-20)26-23(25(29)31-17-32-26)18-3-7-21(27)8-4-18/h3-10,17,20,24,30H,11-16H2,1-2H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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))
BDBM224472
PNG
(US10080750, Compound 150 | US9321760, 150 | US9662...)
Show SMILES CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H32F2N6/c1-33(2)16-13-30-24(19-5-9-22(28)10-6-19)20-11-14-34(15-12-20)26-23(25(29)31-17-32-26)18-3-7-21(27)8-4-18/h3-10,17,20,24,30H,11-16H2,1-2H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224472
PNG
(US10080750, Compound 150 | US9321760, 150 | US9662...)
Show SMILES CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H32F2N6/c1-33(2)16-13-30-24(19-5-9-22(28)10-6-19)20-11-14-34(15-12-20)26-23(25(29)31-17-32-26)18-3-7-21(27)8-4-18/h3-10,17,20,24,30H,11-16H2,1-2H3,(H2,29,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair