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BDBM182305 US9145392, 6

SMILES: Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C=O)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=OHPGVBAFZWTDHG-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 = 182305   
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM182305
PNG
(US9145392, 6)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O/c1-30-9-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(30)12-4-6-31(7-5-12)20-14(10-32)18(26)27-11-28-20/h2-3,8-12H,4-7H2,1H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM182305
PNG
(US9145392, 6)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O/c1-30-9-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(30)12-4-6-31(7-5-12)20-14(10-32)18(26)27-11-28-20/h2-3,8-12H,4-7H2,1H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 160n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair