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BDBM50316192 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-1-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol::CHEMBL1099276::GSK screening, 28

SMILES: CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N

InChI Key: InChIKey=VLGIYSJSJHPDHN-KRWDZBQOSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50316192   
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))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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0.400n/an/an/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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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5n/an/an/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
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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n/an/a 40n/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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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n/an/a 25n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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n/an/a 1n/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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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n/an/a 1n/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