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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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UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Casein kinase I 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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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
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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PC sid
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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
More data for this
Ligand-Target Pair
Casein kinase I 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
More data for this
Ligand-Target Pair
Casein kinase I 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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PC cid
PC sid
UniChem
Article
PubMed
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
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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Article
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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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%