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BDBM364981 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-chloro-pyrimidin-4-ylamine::US9867826, Compound 10

SMILES: Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl

InChI Key: InChIKey=BPJUPXXKAPKTBS-QAPCUYQASA-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 = 364981   
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))
BDBM364981
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl |r|
Show InChI InChI=1S/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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))
BDBM364981
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl |r|
Show InChI InChI=1S/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18+/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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