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BDBM224377 US10080750, Compound 54::US9321760, 54

SMILES: NC[C@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=NEIPIANQJOZZOB-FQEVSTJZSA-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 = 224377   
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))
BDBM224377
PNG
(US10080750, Compound 54 | US9321760, 54)
Show SMILES NC[C@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)/t20-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/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))
BDBM224377
PNG
(US10080750, Compound 54 | US9321760, 54)
Show SMILES NC[C@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/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