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BDBM182483 US9145392, 184

SMILES: COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(C)c1

InChI Key: InChIKey=KVMVAUMDSYMRST-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 = 182483   
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


(Homo sapiens (human))
BDBM182483
PNG
(US9145392, 184)
Show SMILES COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C24H30FN7O/c1-15-9-18(3-4-19(15)25)20-13-32(12-16-10-27-11-16)23(30-20)17-5-7-31(8-6-17)24-21(33-2)22(26)28-14-29-24/h3-4,9,13-14,16-17,27H,5-8,10-12H2,1-2H3,(H2,26,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.30n/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)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM182483
PNG
(US9145392, 184)
Show SMILES COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C24H30FN7O/c1-15-9-18(3-4-19(15)25)20-13-32(12-16-10-27-11-16)23(30-20)17-5-7-31(8-6-17)24-21(33-2)22(26)28-14-29-24/h3-4,9,13-14,16-17,27H,5-8,10-12H2,1-2H3,(H2,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.260n/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)


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