BindingDB logo
myBDB logout

BDBM181319 US9139568, 72

SMILES: NC(=O)c1ccc(NC2CNCC2c2cccc(OC(F)(F)F)c2)c2cncnc12

InChI Key: InChIKey=KEKMTFSRYLVCEZ-UHFFFAOYNA-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 = 181319   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM181319
PNG
(US9139568, 72)
Show SMILES NC(=O)c1ccc(NC2CNCC2c2cccc(OC(F)(F)F)c2)c2cncnc12
Show InChI InChI=1/C20H18F3N5O2/c21-20(22,23)30-12-3-1-2-11(6-12)14-7-25-9-17(14)28-16-5-4-13(19(24)29)18-15(16)8-26-10-27-18/h1-6,8,10,14,17,25,28H,7,9H2,(H2,24,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Merck Patent GmbH

US Patent


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


US Patent US9139568 (2015)


BindingDB Entry DOI: 10.7270/Q2PZ57KW
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM181319
PNG
(US9139568, 72)
Show SMILES NC(=O)c1ccc(NC2CNCC2c2cccc(OC(F)(F)F)c2)c2cncnc12
Show InChI InChI=1/C20H18F3N5O2/c21-20(22,23)30-12-3-1-2-11(6-12)14-7-25-9-17(14)28-16-5-4-13(19(24)29)18-15(16)8-26-10-27-18/h1-6,8,10,14,17,25,28H,7,9H2,(H2,24,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 100n/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 US9139568 (2015)


BindingDB Entry DOI: 10.7270/Q2PZ57KW
More data for this
Ligand-Target Pair