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BDBM224348 US10080750, Compound 25::US9321760, 25

SMILES: NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=IIZJUCZMRWRRHC-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 = 224348   
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))
BDBM224348
PNG
(US10080750, Compound 25 | US9321760, 25)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6/c23-22(24,25)17-7-5-15(6-8-17)18(13-26)30-9-11-31(12-10-30)21-19(16-3-1-2-4-16)20(27)28-14-29-21/h3,5-8,14,18H,1-2,4,9-13,26H2,(H2,27,28,29)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.40n/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))
BDBM224348
PNG
(US10080750, Compound 25 | US9321760, 25)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6/c23-22(24,25)17-7-5-15(6-8-17)18(13-26)30-9-11-31(12-10-30)21-19(16-3-1-2-4-16)20(27)28-14-29-21/h3,5-8,14,18H,1-2,4,9-13,26H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.40n/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