BindingDB logo
myBDB logout

BDBM224362 US10080750, Compound 39::US9321760, 39

SMILES: CCn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=GUOQUSRFPFKBCC-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 = 224362   
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))
BDBM224362
PNG
(US10080750, Compound 39 | US9321760, 39)
Show SMILES CCn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N8/c1-2-33-13-16(12-30-33)19-20(27)28-14-29-21(19)32-9-7-31(8-10-32)18(11-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12-14,18H,2,7-11,26H2,1H3,(H2,27,28,29)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 12n/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))
BDBM224362
PNG
(US10080750, Compound 39 | US9321760, 39)
Show SMILES CCn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N8/c1-2-33-13-16(12-30-33)19-20(27)28-14-29-21(19)32-9-7-31(8-10-32)18(11-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12-14,18H,2,7-11,26H2,1H3,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 12n/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