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BDBM224494 US10080750, Compound 172::US9321760, 172::US9662330, Compound 172

SMILES: C[C@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=AFTITNGEJQLJMI-UWJYYQICSA-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 = 224494   
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))
BDBM224494
PNG
(US10080750, Compound 172 | US9321760, 172 | US9662...)
Show SMILES C[C@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H29FN6/c1-17(18-5-3-2-4-6-18)21(15-26)30-11-13-31(14-12-30)24-22(23(27)28-16-29-24)19-7-9-20(25)10-8-19/h2-10,16-17,21H,11-15,26H2,1H3,(H2,27,28,29)/t17-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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))
BDBM224494
PNG
(US10080750, Compound 172 | US9321760, 172 | US9662...)
Show SMILES C[C@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H29FN6/c1-17(18-5-3-2-4-6-18)21(15-26)30-11-13-31(14-12-30)24-22(23(27)28-16-29-24)19-7-9-20(25)10-8-19/h2-10,16-17,21H,11-15,26H2,1H3,(H2,27,28,29)/t17-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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))
BDBM224494
PNG
(US10080750, Compound 172 | US9321760, 172 | US9662...)
Show SMILES C[C@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H29FN6/c1-17(18-5-3-2-4-6-18)21(15-26)30-11-13-31(14-12-30)24-22(23(27)28-16-29-24)19-7-9-20(25)10-8-19/h2-10,16-17,21H,11-15,26H2,1H3,(H2,27,28,29)/t17-,21-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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