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PubMed code 24007918

Compile data set for download or QSAR
Found 6 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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50441090
PNG
(CHEMBL2430323 | US9669028, 114 N-(3-(3-methyl-1H-p...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19)
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n/an/a 233n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 in presence of 20 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Rattus norvegicus (rat))		BDBM50229971
PNG
(4-(4-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)-5-pyridin-...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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Article
PubMed
n/an/a 353n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat CK1delta in presence of 20 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 15


(Homo sapiens (Human))		BDBM50441090
PNG
(CHEMBL2430323 | US9669028, 114 N-(3-(3-methyl-1H-p...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19)
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n/an/a 400n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ERK8 in presence of 5 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Rattus norvegicus (rat))		BDBM50441089
PNG
(CHEMBL2430324)
Show SMILES CC(=O)Nc1nccc(n1)-c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-10-14(13-8-9-17-16(19-13)18-11(2)21)15(20-22-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19,21)
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n/an/a 838n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat CK1delta in presence of 20 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Rattus norvegicus (rat))		BDBM50441090
PNG
(CHEMBL2430323 | US9669028, 114 N-(3-(3-methyl-1H-p...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19)
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n/an/a 894n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat CK1delta in presence of 20 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))		BDBM50441090
PNG
(CHEMBL2430323 | US9669028, 114 N-(3-(3-methyl-1H-p...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine

Curated by ChEMBL


Assay Description
Inhibition of human NEK2alpha in presence of 50 uM ATP

Bioorg Med Chem Lett 23: 5578-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.046
BindingDB Entry DOI: 10.7270/Q2Q52R2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%