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BDBM224333 US10080750, Compound 10::US9321760, 10::US9662330, Compound 10

SMILES: Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1

InChI Key: InChIKey=HVSSAHOBNFKKOV-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 = 224333   
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))
BDBM224333
PNG
(US10080750, Compound 10 | US9321760, 10 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30F4N6/c28-22-9-5-20(6-10-22)24-25(32)33-18-34-26(24)37-15-13-36(14-16-37)23(17-35-11-1-2-12-35)19-3-7-21(8-4-19)27(29,30)31/h3-10,18,23H,1-2,11-17H2,(H2,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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))
BDBM224333
PNG
(US10080750, Compound 10 | US9321760, 10 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30F4N6/c28-22-9-5-20(6-10-22)24-25(32)33-18-34-26(24)37-15-13-36(14-16-37)23(17-35-11-1-2-12-35)19-3-7-21(8-4-19)27(29,30)31/h3-10,18,23H,1-2,11-17H2,(H2,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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))
BDBM224333
PNG
(US10080750, Compound 10 | US9321760, 10 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30F4N6/c28-22-9-5-20(6-10-22)24-25(32)33-18-34-26(24)37-15-13-36(14-16-37)23(17-35-11-1-2-12-35)19-3-7-21(8-4-19)27(29,30)31/h3-10,18,23H,1-2,11-17H2,(H2,32,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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