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3 similar compounds to monomer 50224734

Compile data set for download or QSAR
Wt: 462.5
BDBM50224742
Wt: 483.9
BDBM50318574
Wt: 553.0
BDBM50318575

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50224742,50318574,50318575   
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))
BDBM50224742
PNG
(2-(4-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H26N8OS/c1-29(2)17-5-3-16(4-6-17)21-27-20-18(7-8-24-22(20)28-21)31-12-10-30(11-13-31)15-19(32)26-23-25-9-14-33-23/h3-9,14H,10-13,15H2,1-2H3,(H,24,27,28)(H,25,26,32)
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PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
BindingDB Entry DOI: 10.7270/Q27D2TVT
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224742
PNG
(2-(4-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C23H26N8OS/c1-29(2)17-5-3-16(4-6-17)21-27-20-18(7-8-24-22(20)28-21)31-12-10-30(11-13-31)15-19(32)26-23-25-9-14-33-23/h3-9,14H,10-13,15H2,1-2H3,(H,24,27,28)(H,25,26,32)
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n/an/a 870n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318575
PNG
(2-{4-[6-Chloro-2-(4-morpholin-4-ylmethylphenyl)-3H...)
Show SMILES Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H29ClN8O2S/c27-20-15-29-25-22(23(20)35-8-6-33(7-9-35)17-21(36)30-26-28-5-14-38-26)31-24(32-25)19-3-1-18(2-4-19)16-34-10-12-37-13-11-34/h1-5,14-15H,6-13,16-17H2,(H,28,30,36)(H,29,31,32)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318575
PNG
(2-{4-[6-Chloro-2-(4-morpholin-4-ylmethylphenyl)-3H...)
Show SMILES Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H29ClN8O2S/c27-20-15-29-25-22(23(20)35-8-6-33(7-9-35)17-21(36)30-26-28-5-14-38-26)31-24(32-25)19-3-1-18(2-4-19)16-34-10-12-37-13-11-34/h1-5,14-15H,6-13,16-17H2,(H,28,30,36)(H,29,31,32)
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n/an/a 3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318574
PNG
(2-(4-(6-Chloro-2-(4-methoxyphenyl)-3H-imidazo[4,5-...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28)
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PubMed
n/an/a 52n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318574
PNG
(2-(4-(6-Chloro-2-(4-methoxyphenyl)-3H-imidazo[4,5-...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28)
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair