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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'CaM-kinase kinase beta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271731
PNG
(CHEMBL4126413)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H21ClN4O2/c1-12(2)15-10-13(8-9-14(15)20(23)27)19-16(22)11-24-21(26-19)25-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H2,23,27)(H,24,25,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271776
PNG
(CHEMBL4125907)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271746
PNG
(CHEMBL4128151)
Show SMILES Cc1ccc2c(c[nH]c2n1)-c1ccc(C(O)=O)c(c1)C1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-12-6-8-15-18(11-21-19(15)22-12)14-7-9-16(20(23)24)17(10-14)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,21,22)(H,23,24)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271736
PNG
(CHEMBL4126756)
Show SMILES CN(C)c1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(c3)C3CCCC3)c2c1
Show InChI InChI=1S/C27H28N4O/c1-31(2)25-10-6-5-9-20(25)19-14-23-24(16-30-27(23)29-15-19)18-11-12-21(26(28)32)22(13-18)17-7-3-4-8-17/h5-6,9-17H,3-4,7-8H2,1-2H3,(H2,28,32)(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271747
PNG
(CHEMBL4127245)
Show SMILES CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-14(2)19-10-16(8-9-18(19)23(26)27)21-13-25-22-20(21)11-17(12-24-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271742
PNG
(CHEMBL4127076)
Show SMILES Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26N4O2/c1-19-16-22(33-15-12-31-10-13-32-14-11-31)6-7-23(19)26-17-25-24(8-9-29-27(25)30-26)21-4-2-20(18-28)3-5-21/h2-9,16-17H,10-15H2,1H3,(H,29,30)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271750
PNG
(CHEMBL4126095)
Show SMILES Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O3/c1-18-16-21(34-15-12-31-10-13-33-14-11-31)6-7-22(18)25-17-24-23(8-9-29-27(24)30-25)19-2-4-20(5-3-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271744
PNG
(CHEMBL4128939)
Show SMILES Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H26N4O2/c1-17-20(16-30-11-13-32-14-12-30)3-2-4-21(17)24-15-23-22(9-10-28-26(23)29-24)18-5-7-19(8-6-18)25(27)31/h2-10,15H,11-14,16H2,1H3,(H2,27,31)(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271751
PNG
(CHEMBL4127140)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271734
PNG
(CHEMBL4128540)
Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
Show InChI InChI=1S/C30H32N4O2/c1-20(2)27-17-22(4-5-23(27)19-31)26-8-9-32-30-28(26)18-29(33-30)25-7-6-24(16-21(25)3)36-15-12-34-10-13-35-14-11-34/h4-9,16-18,20H,10-15H2,1-3H3,(H,32,33)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271753
PNG
(CHEMBL4127640)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(C(N)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H22N4O2/c1-13(2)16-12-14(8-9-15(16)20(22)26)17-10-11-23-21(24-17)25-18-6-4-5-7-19(18)27-3/h4-13H,1-3H3,(H2,22,26)(H,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271754
PNG
(CHEMBL4130166)
Show SMILES NC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C31H27N3O2/c32-30(35)25-15-14-21(16-26(25)20-8-4-5-9-20)28-19-34-31-27(28)17-22(18-33-31)24-12-6-7-13-29(24)36-23-10-2-1-3-11-23/h1-3,6-7,10-20H,4-5,8-9H2,(H2,32,35)(H,33,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271738
PNG
(CHEMBL4129219)
Show SMILES COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H20FN3O3/c1-12(2)15-10-13(8-9-14(15)20(26)27)19-16(22)11-23-21(25-19)24-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271775
PNG
(CHEMBL4129590)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H21N3O3/c1-13(2)16-12-14(8-9-15(16)20(25)26)17-10-11-22-21(23-17)24-18-6-4-5-7-19(18)27-3/h4-13H,1-3H3,(H,25,26)(H,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271782
PNG
(CHEMBL4126300)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H15N3O3/c1-24-16-5-3-2-4-15(16)21-18-19-11-10-14(20-18)12-6-8-13(9-7-12)17(22)23/h2-11H,1H3,(H,22,23)(H,19,20,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271743
PNG
(CHEMBL4127797)
Show SMILES COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H21FN4O2/c1-12(2)15-10-13(8-9-14(15)20(23)27)19-16(22)11-24-21(26-19)25-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H2,23,27)(H,24,25,26)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271781
PNG
(CHEMBL4129040)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C18H16N4O2/c1-24-16-5-3-2-4-15(16)22-18-20-11-10-14(21-18)12-6-8-13(9-7-12)17(19)23/h2-11H,1H3,(H2,19,23)(H,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271757
PNG
(CHEMBL4128625)
Show SMILES COc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C24H20N4O2/c1-30-22-12-11-19(16-5-3-2-4-6-16)15-21(22)28-24-26-14-13-20(27-24)17-7-9-18(10-8-17)23(25)29/h2-15H,1H3,(H2,25,29)(H,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271755
PNG
(CHEMBL4129843)
Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1
Show InChI InChI=1S/C23H17FN4O/c24-19-11-10-18(15-4-2-1-3-5-15)14-21(19)28-23-26-13-12-20(27-23)16-6-8-17(9-7-16)22(25)29/h1-14H,(H2,25,29)(H,26,27,28)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271745
PNG
(CHEMBL4126566)
Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271756
PNG
(CHEMBL4127319)
Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C23H17N3O2/c27-22(28)18-11-9-17(10-12-18)21-13-14-24-23(26-21)25-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,24,25,26)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271787
PNG
(CHEMBL4129130)
Show SMILES CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2nc(ccc12)C#N
Show InChI InChI=1S/C18H15N3O2/c1-10(2)15-7-11(3-5-14(15)18(22)23)16-9-20-17-13(16)6-4-12(8-19)21-17/h3-7,9-10H,1-2H3,(H,20,21)(H,22,23)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271788
PNG
(CHEMBL4127064)
Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2nc(ccc12)C#N
Show InChI InChI=1S/C20H17N3O2/c21-10-14-6-8-15-18(11-22-19(15)23-14)13-5-7-16(20(24)25)17(9-13)12-3-1-2-4-12/h5-9,11-12H,1-4H2,(H,22,23)(H,24,25)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271789
PNG
(CHEMBL4125686)
Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H18N2O2/c22-19(23)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-21-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,20,21)(H,22,23)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271785
PNG
(CHEMBL4128810)
Show SMILES NC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-8-4-3-7-18(23)17-12-21-22(14-32-25(21)31-13-17)16-9-10-19(24(30)33)20(11-16)15-5-1-2-6-15/h3-4,7-15H,1-2,5-6H2,(H2,30,33)(H,31,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271786
PNG
(CHEMBL4127557)
Show SMILES CC(C)Oc1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(c3)C3CCCC3)c2c1
Show InChI InChI=1S/C28H29N3O2/c1-17(2)33-26-10-6-5-9-21(26)20-14-24-25(16-31-28(24)30-15-20)19-11-12-22(27(29)32)23(13-19)18-7-3-4-8-18/h5-6,9-18H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271737
PNG
(CHEMBL4128950)
Show SMILES NC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1O
Show InChI InChI=1S/C25H23N3O2/c26-24(30)19-10-9-16(11-20(19)15-5-1-2-6-15)22-14-28-25-21(22)12-17(13-27-25)18-7-3-4-8-23(18)29/h3-4,7-15,29H,1-2,5-6H2,(H2,26,30)(H,27,28)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271749
PNG
(CHEMBL4126332)
Show SMILES COc1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(c3)C3CCCC3)c2c1
Show InChI InChI=1S/C26H25N3O2/c1-31-24-9-5-4-8-19(24)18-13-22-23(15-29-26(22)28-14-18)17-10-11-20(25(27)30)21(12-17)16-6-2-3-7-16/h4-5,8-16H,2-3,6-7H2,1H3,(H2,27,30)(H,28,29)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50296011
PNG
(2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271774
PNG
(CHEMBL4128459)
Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
Show InChI InChI=1S/C29H30N4O/c1-19(2)25-15-22(6-7-23(25)17-30)24-8-9-31-29-27(24)16-28(32-29)26-14-21(5-4-20(26)3)18-33-10-12-34-13-11-33/h4-9,14-16,19H,10-13,18H2,1-3H3,(H,31,32)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271735
PNG
(CHEMBL4129941)
Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4O/c1-18-2-3-20(17-30-10-12-31-13-11-30)14-23(18)25-15-24-22(8-9-28-26(24)29-25)21-6-4-19(16-27)5-7-21/h2-9,14-15H,10-13,17H2,1H3,(H,28,29)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271748
PNG
(CHEMBL4128577)
Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1
Show InChI InChI=1S/C26H25N3O2/c1-31-24-9-5-4-8-20(24)23-15-22-18(12-13-28-26(22)29-23)17-10-11-19(25(27)30)21(14-17)16-6-2-3-7-16/h4-5,8-16H,2-3,6-7H2,1H3,(H2,27,30)(H,28,29)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271780
PNG
(CHEMBL4126511)
Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
Show InChI InChI=1S/C30H34N4O3/c1-19(2)26-17-21(4-6-25(26)29(31)35)24-8-9-32-30-27(24)18-28(33-30)23-7-5-22(16-20(23)3)37-15-12-34-10-13-36-14-11-34/h4-9,16-19H,10-15H2,1-3H3,(H2,31,35)(H,32,33)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271741
PNG
(CHEMBL4129791)
Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
Show InChI InChI=1S/C29H32N4O2/c1-18(2)24-15-21(6-7-23(24)28(30)34)22-8-9-31-29-26(22)16-27(32-29)25-14-20(5-4-19(25)3)17-33-10-12-35-13-11-33/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,34)(H,31,32)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271729
PNG
(CHEMBL4128717)
Show SMILES Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O3/c1-18-21(3-2-4-25(18)34-16-13-31-11-14-33-15-12-31)24-17-23-22(9-10-29-27(23)30-24)19-5-7-20(8-6-19)26(28)32/h2-10,17H,11-16H2,1H3,(H2,28,32)(H,29,30)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271740
PNG
(CHEMBL4127330)
Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H26N4O2/c1-17-2-3-18(16-30-10-12-32-13-11-30)14-22(17)24-15-23-21(8-9-28-26(23)29-24)19-4-6-20(7-5-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271778
PNG
(CHEMBL4130310)
Show SMILES Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H26N4O2/c1-17-14-18(16-30-10-12-32-13-11-30)2-7-21(17)24-15-23-22(8-9-28-26(23)29-24)19-3-5-20(6-4-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271777
PNG
(CHEMBL4129362)
Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H17N3O2/c1-26-19-5-3-2-4-16(19)18-12-17-15(10-11-23-21(17)24-18)13-6-8-14(9-7-13)20(22)25/h2-12H,1H3,(H2,22,25)(H,23,24)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271728
PNG
(CHEMBL4127977)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-4-2-3-15(11-16)19-12-18-17(9-10-23-21(18)24-19)13-5-7-14(8-6-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB

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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271739
PNG
(CHEMBL4126740)
Show SMILES CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C26H27N5O2/c1-31(2)14-4-12-29-26(33)20-6-3-5-19(15-20)23-16-22-21(11-13-28-25(22)30-23)17-7-9-18(10-8-17)24(27)32/h3,5-11,13,15-16H,4,12,14H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271730
PNG
(CHEMBL4125774)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-4-3-5-18(12-15)21-13-20-19(10-11-25-23(20)26-21)16-6-8-17(9-7-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271733
PNG
(CHEMBL4129991)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C24H20N4O/c1-16-7-8-20(17-5-3-2-4-6-17)15-22(16)28-24-26-14-13-21(27-24)18-9-11-19(12-10-18)23(25)29/h2-15H,1H3,(H2,25,29)(H,26,27,28)
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair