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Compile Data Set for Download or QSAR

Found 13 hits of ic50 data for polymerid = 4456   
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
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of CAMKKbeta in the presence of 20uM ATP


Biochem J 408: 297-315 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
PDB
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n/an/a 34n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
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n/an/a 40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CaM-KKbeta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50038199
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CaM-KKbeta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50442139
PNG
(CHEMBL2441273)
Show SMILES CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1
Show InChI InChI=1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12,14H2,1H3,(H2,27,28,29,30,31)/t19-,21-
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CAMKK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
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n/an/a 500n/an/an/an/a7.530



RIKEN Systems and Structural Biology Center



Assay Description
The AMPK peptide including the sequence surrounding the phosphorylation site of AMPK (167GEFLRTSCGSP177), was synthesized at the Support Unit for Bio...


J Biol Chem 286: 22570-9 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM317468
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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n/an/a 501n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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n/an/a 728n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50235816
PNG
(CHEMBL4069365)
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n/an/a 1.91E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CAMKKbeta


J Med Chem 53: 8508-22 (2010)

More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2


Bioorg Med Chem Lett 22: 4613-8 (2012)

More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human CAMKK2 using MBP as substrate


Citation and Details
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50165124
PNG
(CHEMBL3798296)
Show SMILES COc1cccc(CN(CCN(CCN(C)C)Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-29(2)17-18-30(22-25-11-6-4-7-12-25)19-20-31(23-26-13-8-5-9-14-26)24-27-15-10-16-28(21-27)32-3/h4-16,21H,17-20,22-24H2,1-3H3
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n/an/a 4.04E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human CaMKK2 expressed in insect Sf21 cells in presence of 2 uM CaM/[gamma32P]ATP by liquid scintillation count...


Citation and Details
More data for this
Ligand-Target Pair