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BDBM50316188 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol::CHEMBL1096290

SMILES: CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N

InChI Key: InChIKey=JHBURLBWOXZZGX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50316188   
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
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50316188
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyr...)
Show SMILES CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316188
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyr...)
Show SMILES CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316188
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyr...)
Show SMILES CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50316188
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyr...)
Show SMILES CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair