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BDBM182473 US9145392, 174

InChI string: InChI=1S/C26H33F4N7O/c1-4-32-9-12-37-14-21(18-5-6-20(27)19(13-18)26(28,29)30)35-24(37)17-7-10-36(11-8-17)25-22(38-16(2)3)23(31)33-15-34-25/h5-6,13-17,32H,4,7-12H2,1-3H3,(H2,31,33,34)

SMILES: CCNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1OC(C)C)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=RGZTUPDJESIZJE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 182473   
Target
(Institution)
LigandTarget
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
AKT/p21CIP1


(Homo sapiens (human))
BDBM182473
PNG
(US9145392, 174)
Show SMILES CCNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1OC(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F4N7O/c1-4-32-9-12-37-14-21(18-5-6-20(27)19(13-18)26(28,29)30)35-24(37)17-7-10-36(11-8-17)25-22(38-16(2)3)23(31)33-15-34-25/h5-6,13-17,32H,4,7-12H2,1-3H3,(H2,31,33,34)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.520n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM182473
PNG
(US9145392, 174)
Show SMILES CCNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1OC(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F4N7O/c1-4-32-9-12-37-14-21(18-5-6-20(27)19(13-18)26(28,29)30)35-24(37)17-7-10-36(11-8-17)25-22(38-16(2)3)23(31)33-15-34-25/h5-6,13-17,32H,4,7-12H2,1-3H3,(H2,31,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.440n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair