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BDBM224505 US10080750, Compound 183::US9321760, 183

SMILES: COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1

InChI Key: InChIKey=XJTLKGSNWAMFGV-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 = 224505   
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))
BDBM224505
PNG
(US10080750, Compound 183 | US9321760, 183)
Show SMILES COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FN7O/c1-31-19-7-4-16(13-26-19)18(12-24)29-8-10-30(11-9-29)22-20(21(25)27-14-28-22)15-2-5-17(23)6-3-15/h2-7,13-14,18H,8-12,24H2,1H3,(H2,25,27,28)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.40n/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 US10080750 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM224505
PNG
(US10080750, Compound 183 | US9321760, 183)
Show SMILES COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FN7O/c1-31-19-7-4-16(13-26-19)18(12-24)29-8-10-30(11-9-29)22-20(21(25)27-14-28-22)15-2-5-17(23)6-3-15/h2-7,13-14,18H,8-12,24H2,1H3,(H2,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.40n/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 US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair