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PubMed code 25589925

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 37n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043342
PNG
(CHEMBL3355058)
Show SMILES O=C(Nc1ccc2CCNCCc2c1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H20N4O/c25-20(16-3-1-14(2-4-16)18-12-22-23-13-18)24-19-6-5-15-7-9-21-10-8-17(15)11-19/h1-6,11-13,21H,7-10H2,(H,22,23)(H,24,25)
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n/an/a 410n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043345
PNG
(CHEMBL3355056)
Show SMILES NCCCOc1cc(ccc1C(=O)Nc1ccccc1)-c1cn[nH]c1
Show InChI InChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043325
PNG
(CHEMBL3355054)
Show SMILES COc1cc(O)cc(Nc2ccc(cc2)C(=O)Nc2ccc3CCNCc3c2)c1
Show InChI InChI=1S/C23H23N3O3/c1-29-22-12-20(11-21(27)13-22)25-18-5-3-16(4-6-18)23(28)26-19-7-2-15-8-9-24-14-17(15)10-19/h2-7,10-13,24-25,27H,8-9,14H2,1H3,(H,26,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043369
PNG
(CHEMBL3355055)
Show SMILES COc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1
Show InChI InChI=1S/C23H25N3O4/c1-29-20-13-18(12-19(27)15-20)25-17-8-9-21(22(14-17)30-11-5-10-24)23(28)26-16-6-3-2-4-7-16/h2-4,6-9,12-15,25,27H,5,10-11,24H2,1H3,(H,26,28)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) by Millipore kinase analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using KKLNRTLSFAEPG/gamma[33P]ATP by Millipore kinase/scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043344
PNG
(CHEMBL3355057)
Show SMILES Brc1ccc(cc1)C(=O)Nc1ccc2CCNCCc2c1
Show InChI InChI=1S/C17H17BrN2O/c18-15-4-1-13(2-5-15)17(21)20-16-6-3-12-7-9-19-10-8-14(12)11-16/h1-6,11,19H,7-10H2,(H,20,21)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50043333
PNG
(CHEMBL3355053)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 7.60E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) by Millipore kinase analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 8.10E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CAMK2delta (unknown origin) by Millipore kinase analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MLCK (unknown origin) by Millipore kinase analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))		BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CAMK2gamma (unknown origin) by Millipore kinase analysis

ACS Med Chem Lett 6: 25-30 (2015)


Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%