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3 similar compounds to monomer 50293697

Compile data set for download or QSAR
Wt: 416.4
BDBM50293693
Wt: 430.5
BDBM50293699
Wt: 431.5
BDBM50293700

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50293693,50293699,50293700   
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
Aurora kinase A


(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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50293693
PNG
(CHEMBL557279 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20N6OS/c1-14-12-21(28-27-14)25-20-13-19(16-6-4-3-5-7-16)24-22(26-20)30-18-10-8-17(9-11-18)23-15(2)29/h3-13H,1-2H3,(H,23,29)(H2,24,25,26,27,28)
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2.40n/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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50293700
PNG
(CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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<3n/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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50293700
PNG
(CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
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49n/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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50293693
PNG
(CHEMBL557279 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20N6OS/c1-14-12-21(28-27-14)25-20-13-19(16-6-4-3-5-7-16)24-22(26-20)30-18-10-8-17(9-11-18)23-15(2)29/h3-13H,1-2H3,(H,23,29)(H2,24,25,26,27,28)
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83n/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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase B


(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)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair