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BDBM224523 US10080750, Compound 201::US9321760, 201

SMILES: COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1

InChI Key: InChIKey=KSMFXECOIXXBDB-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 = 224523   
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))
BDBM224523
PNG
(US10080750, Compound 201 | US9321760, 201)
Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1
Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.5n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM224523
PNG
(US10080750, Compound 201 | US9321760, 201)
Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1
Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.5n/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