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4 similar compounds to monomer 50293695

Wt: 354.4
BDBM50293692
Wt: 368.4
BDBM50293694
Wt: 410.5
BDBM50293696
Wt: 430.5
BDBM50293699

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50293692,50293694,50293696,50293699   
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
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50293699
PNG
(CHEMBL554941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H22N6OS/c1-3-22(30)24-17-9-11-18(12-10-17)31-23-25-19(16-7-5-4-6-8-16)14-20(27-23)26-21-13-15(2)28-29-21/h4-14H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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<1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50293694
PNG
(CHEMBL560556 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C18H20N6OS/c1-4-17(25)20-13-5-7-14(8-6-13)26-18-19-11(2)9-15(22-18)21-16-10-12(3)23-24-16/h5-10H,4H2,1-3H3,(H,20,25)(H2,19,21,22,23,24)
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5.10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50293696
PNG
(CHEMBL565183 | N-(4-(4-tert-butyl-6-(5-methyl-1H-p...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H26N6OS/c1-6-19(28)22-14-7-9-15(10-8-14)29-20-23-16(21(3,4)5)12-17(25-20)24-18-11-13(2)26-27-18/h7-12H,6H2,1-5H3,(H,22,28)(H2,23,24,25,26,27)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50293692
PNG
(CHEMBL562497 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C17H18N6OS/c1-10-8-15(20-16-9-11(2)22-23-16)21-17(18-10)25-14-6-4-13(5-7-14)19-12(3)24/h4-9H,1-3H3,(H,19,24)(H2,18,20,21,22,23)
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18n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50293696
PNG
(CHEMBL565183 | N-(4-(4-tert-butyl-6-(5-methyl-1H-p...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H26N6OS/c1-6-19(28)22-14-7-9-15(10-8-14)29-20-23-16(21(3,4)5)12-17(25-20)24-18-11-13(2)26-27-18/h7-12H,6H2,1-5H3,(H,22,28)(H2,23,24,25,26,27)
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PubMed
115n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50293699
PNG
(CHEMBL554941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H22N6OS/c1-3-22(30)24-17-9-11-18(12-10-17)31-23-25-19(16-7-5-4-6-8-16)14-20(27-23)26-21-13-15(2)28-29-21/h4-14H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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145n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50293694
PNG
(CHEMBL560556 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C18H20N6OS/c1-4-17(25)20-13-5-7-14(8-6-13)26-18-19-11(2)9-15(22-18)21-16-10-12(3)23-24-16/h5-10H,4H2,1-3H3,(H,20,25)(H2,19,21,22,23,24)
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153n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50293692
PNG
(CHEMBL562497 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C17H18N6OS/c1-10-8-15(20-16-9-11(2)22-23-16)21-17(18-10)25-14-6-4-13(5-7-14)19-12(3)24/h4-9H,1-3H3,(H,19,24)(H2,18,20,21,22,23)
PDB

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220n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)

More data for this
Ligand-Target Pair