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SMILES: NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=GEKRHWYIFQTBAI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 385993   
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
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385993
PNG
(2-(1-(2,3-dihydro-1H-pyrrolo[2,3]pyrimidin-4-yl)pi...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-3-1-13(2-4-14)16(11-23)27-7-9-28(10-8-27)18-15-5-6-24-17(15)25-12-26-18/h1-4,12,16H,5-11,23H2,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



University of Wisconsin at Madison



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


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q26M394B
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))
BDBM385993
PNG
(2-(1-(2,3-dihydro-1H-pyrrolo[2,3]pyrimidin-4-yl)pi...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-3-1-13(2-4-14)16(11-23)27-7-9-28(10-8-27)18-15-5-6-24-17(15)25-12-26-18/h1-4,12,16H,5-11,23H2,(H,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



University of Wisconsin at Madison



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...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q26M394B
More data for this
Ligand-Target Pair