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BDBM224524 US10080750, Compound 202::US9321760, 202

SMILES: Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=QRWJGICMWHVMPU-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 = 224524   
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))
BDBM224524
PNG
(US10080750, Compound 202 | US9321760, 202)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N6O/c24-15-5-6-16(17(25)9-15)21(35)31-10-22(30)7-8-34(11-22)20-18(19(29)32-12-33-20)13-1-3-14(4-2-13)23(26,27)28/h1-6,9,12H,7-8,10-11,30H2,(H,31,35)(H2,29,32,33)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10n/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))
BDBM224524
PNG
(US10080750, Compound 202 | US9321760, 202)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N6O/c24-15-5-6-16(17(25)9-15)21(35)31-10-22(30)7-8-34(11-22)20-18(19(29)32-12-33-20)13-1-3-14(4-2-13)23(26,27)28/h1-6,9,12H,7-8,10-11,30H2,(H,31,35)(H2,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10n/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