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BDBM224335 US10080750, Compound 12::US9321760, 12

SMILES: Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1

InChI Key: InChIKey=WJKBZYILJASKEE-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 = 224335   
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))
BDBM224335
PNG
(US10080750, Compound 12 | US9321760, 12)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H32F4N6/c29-23-10-6-21(7-11-23)25-26(33)34-19-35-27(25)38-16-14-37(15-17-38)24(18-36-12-2-1-3-13-36)20-4-8-22(9-5-20)28(30,31)32/h4-11,19,24H,1-3,12-18H2,(H2,33,34,35)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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))
BDBM224335
PNG
(US10080750, Compound 12 | US9321760, 12)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H32F4N6/c29-23-10-6-21(7-11-23)25-26(33)34-19-35-27(25)38-16-14-37(15-17-38)24(18-36-12-2-1-3-13-36)20-4-8-22(9-5-20)28(30,31)32/h4-11,19,24H,1-3,12-18H2,(H2,33,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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