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BDBM224371 US10080750, Compound 48::US9321760, 48::US9662330, Compound 48

SMILES: Nc1ncnc(N2CCC(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1

InChI Key: InChIKey=HHECCAZZKIBWLT-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 = 224371   
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM224371
PNG
(US10080750, Compound 48 | US9321760, 48 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/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))
BDBM224371
PNG
(US10080750, Compound 48 | US9321760, 48 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/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)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (human))
BDBM224371
PNG
(US10080750, Compound 48 | US9321760, 48 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/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