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BDBM364989 6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-5-ethoxy-pyrimidin-4-ylamine::US9867826, Compound 16

SMILES: CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=LJKNFVAAARXIMN-XLIONFOSSA-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 = 364989   
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))
BDBM364989
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories



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


J Med Chem 50: 3651-60 (2007)


BindingDB Entry DOI: 10.7270/Q2SJ1NXM
More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364989
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories



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 50: 3651-60 (2007)


BindingDB Entry DOI: 10.7270/Q2SJ1NXM
More data for this
Ligand-Target Pair