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BDBM224378 US10080750, Compound 55::US9321760, 55

SMILES: NCC(C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=CBGPEGDCORSVLT-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 = 224378   
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))
BDBM224378
PNG
(US10080750, Compound 55 | US9321760, 55)
Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7/c22-21(23,24)16-3-1-13(2-4-16)17(9-25)14-5-7-31(8-6-14)20-18(15-10-29-30-11-15)19(26)27-12-28-20/h1-4,10-12,14,17H,5-9,25H2,(H,29,30)(H2,26,27,28)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/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))
BDBM224378
PNG
(US10080750, Compound 55 | US9321760, 55)
Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7/c22-21(23,24)16-3-1-13(2-4-16)17(9-25)14-5-7-31(8-6-14)20-18(15-10-29-30-11-15)19(26)27-12-28-20/h1-4,10-12,14,17H,5-9,25H2,(H,29,30)(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/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