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BDBM224373 US10080750, Compound 50::US9321760, 50::US9662330, Compound 50

SMILES: Nc1ncnc(N2CCC(Cc3ccc(cc3)-c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1

InChI Key: InChIKey=JSCZZZFSEMLAOO-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 = 224373   
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))
BDBM224373
PNG
(US10080750, Compound 50 | US9321760, 50 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)-c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4/c29-24-9-5-22(6-10-24)21-3-1-19(2-4-21)17-20-13-15-34(16-14-20)28-26(27(31)32-18-33-28)23-7-11-25(30)12-8-23/h1-12,18,20H,13-17H2,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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))
BDBM224373
PNG
(US10080750, Compound 50 | US9321760, 50 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)-c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4/c29-24-9-5-22(6-10-24)21-3-1-19(2-4-21)17-20-13-15-34(16-14-20)28-26(27(31)32-18-33-28)23-7-11-25(30)12-8-23/h1-12,18,20H,13-17H2,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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))
BDBM224373
PNG
(US10080750, Compound 50 | US9321760, 50 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)-c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4/c29-24-9-5-22(6-10-24)21-3-1-19(2-4-21)17-20-13-15-34(16-14-20)28-26(27(31)32-18-33-28)23-7-11-25(30)12-8-23/h1-12,18,20H,13-17H2,(H2,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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