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BDBM224450 US10080750, Compound 127::US9321760, 127

SMILES: Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(c(F)c2)C(F)(F)F)c1-c1cn[nH]c1

InChI Key: InChIKey=CGFBMTJBBPMPGY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 224450   
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
P70S6K (T412E)


(Homo sapiens (human))
BDBM224450
PNG
(US10080750, Compound 127 | US9321760, 127)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(c(F)c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8/c24-18-10-15(2-3-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM224450
PNG
(US10080750, Compound 127 | US9321760, 127)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(c(F)c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8/c24-18-10-15(2-3-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/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