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BDBM224530 US10080750, Compound 208::US9321760, 208::US9662330, Compound 208

SMILES: Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1-c1ccc(F)cc1

InChI Key: InChIKey=JRQNSFIXZSSNOW-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 = 224530   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224530
PNG
(US10080750, Compound 208 | US9321760, 208 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23F3N6O/c24-15-3-1-14(2-4-15)19-20(27)30-13-31-21(19)32-9-7-23(28,8-10-32)12-29-22(33)17-6-5-16(25)11-18(17)26/h1-6,11,13H,7-10,12,28H2,(H,29,33)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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))
BDBM224530
PNG
(US10080750, Compound 208 | US9321760, 208 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23F3N6O/c24-15-3-1-14(2-4-15)19-20(27)30-13-31-21(19)32-9-7-23(28,8-10-32)12-29-22(33)17-6-5-16(25)11-18(17)26/h1-6,11,13H,7-10,12,28H2,(H,29,33)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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))
BDBM224530
PNG
(US10080750, Compound 208 | US9321760, 208 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23F3N6O/c24-15-3-1-14(2-4-15)19-20(27)30-13-31-21(19)32-9-7-23(28,8-10-32)12-29-22(33)17-6-5-16(25)11-18(17)26/h1-6,11,13H,7-10,12,28H2,(H,29,33)(H2,27,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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