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BDBM224457 US10080750, Compound 134::US9321760, 134::US9662330, Compound 134

SMILES: Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(c2Cl)C(F)(F)F)c1-c1cn[nH]c1

InChI Key: InChIKey=FSPFMSRTXKXWCZ-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 = 224457   
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))
BDBM224457
PNG
(US10080750, Compound 134 | US9321760, 134 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(c2Cl)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-20-16(3-1-4-17(20)23(25,26)27)18(13-33-5-2-6-33)34-7-9-35(10-8-34)22-19(15-11-31-32-12-15)21(28)29-14-30-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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))
BDBM224457
PNG
(US10080750, Compound 134 | US9321760, 134 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(c2Cl)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-20-16(3-1-4-17(20)23(25,26)27)18(13-33-5-2-6-33)34-7-9-35(10-8-34)22-19(15-11-31-32-12-15)21(28)29-14-30-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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))
BDBM224457
PNG
(US10080750, Compound 134 | US9321760, 134 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(c2Cl)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-20-16(3-1-4-17(20)23(25,26)27)18(13-33-5-2-6-33)34-7-9-35(10-8-34)22-19(15-11-31-32-12-15)21(28)29-14-30-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,31,32)(H2,28,29,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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