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PubMed code 17658776

Compile data set for download or QSAR
Found 109 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))
BDBM50218733
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C25H26N4O3/c1-29(2)24(30)11-5-15-4-10-20-22(12-15)28-25(31)18-8-6-16(13-21(18)27-20)17-7-9-19(26)23(14-17)32-3/h4,6-10,12-14,27H,5,11,26H2,1-3H3,(H,28,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218701
PNG
(8-(1,1-dioxo-1l6-isothiazolidin-2-yl)-3-(3-methoxy...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCS2(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c1-31-22-12-15(4-7-18(22)24)14-3-6-17-20(11-14)25-19-8-5-16(13-21(19)26-23(17)28)27-9-2-10-32(27,29)30/h3-8,11-13,25H,2,9-10,24H2,1H3,(H,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218706
PNG
(CHEMBL429819 | methyl [3-(3-methoxy-4-nitrophenyl)...)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C23H21N3O4/c1-29-21-12-15(5-7-17(21)24)14-4-6-16-19(11-14)25-18-8-3-13(10-22(27)30-2)9-20(18)26-23(16)28/h3-9,11-12,25H,10,24H2,1-2H3,(H,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218704
PNG
(3-(4-amino-3-methoxy-phenyl)-7-morpholin-4-yl-5,10...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H24N4O3/c1-30-23-13-16(3-6-19(23)25)15-2-5-18-21(12-15)26-22-14-17(28-8-10-31-11-9-28)4-7-20(22)27-24(18)29/h2-7,12-14,26H,8-11,25H2,1H3,(H,27,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218730
PNG
(3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1
Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218723
PNG
(7-amino-3-(4-amino-3-methoxy-phenyl)-5,10-dihydro-...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(N)ccc3NC2=O)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-18-10-13(21)4-7-16(18)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218720
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1
Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218715
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)27-24(30)17-7-5-15(12-20(17)26-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218712
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C33H33N5O4/c1-41-31-20-23(5-11-27(31)34)22-4-10-26-29(19-22)36-28-12-2-21(18-30(28)37-33(26)40)3-13-32(39)35-24-6-8-25(9-7-24)38-14-16-42-17-15-38/h2,4-12,18-20,36H,3,13-17,34H2,1H3,(H,35,39)(H,37,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218722
PNG
(3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[...)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H15N3O4/c1-27-19-11-13(7-9-18(19)23(25)26)12-6-8-14-17(10-12)21-15-4-2-3-5-16(15)22-20(14)24/h2-11,21H,1H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218703
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)37-29-18-21(4-11-26(29)32(40)38-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218711
PNG
(8-hydroxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(O)cc3NC2=O)c1
Show InChI InChI=1S/C20H17N3O3/c1-26-19-9-12(3-6-15(19)21)11-2-5-14-17(8-11)22-16-7-4-13(24)10-18(16)23-20(14)25/h2-10,22,24H,21H2,1H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218710
PNG
(6-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3c(NC2=O)cccc3OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-18-5-3-4-16-20(18)23-17-10-12(6-8-14(17)21(25)24-16)13-7-9-15(22)19(11-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218741
PNG
(8-amino-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-16-7-4-13(21)10-18(16)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218732
PNG
(2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][...)
Show SMILES COc1cc(ccc1C#N)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H15N3O2/c1-26-20-11-14(6-7-15(20)12-22)13-8-9-16-19(10-13)23-17-4-2-3-5-18(17)24-21(16)25/h2-11,23H,1H3,(H,24,25)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218717
PNG
(3-(4-acetyl-3-methoxy-phenyl)-5,10-dihydro-dibenzo...)
Show SMILES COc1cc(ccc1C(C)=O)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C22H18N2O3/c1-13(25)16-9-7-15(12-21(16)27-2)14-8-10-17-20(11-14)23-18-5-3-4-6-19(18)24-22(17)26/h3-12,23H,1-2H3,(H,24,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218724
PNG
(CHEMBL395277 | methyl 2-methoxy-4-(11-oxo-10,11-di...)
Show SMILES COC(=O)c1ccc(cc1OC)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C22H18N2O4/c1-27-20-12-14(8-10-16(20)22(26)28-2)13-7-9-15-19(11-13)23-17-5-3-4-6-18(17)24-21(15)25/h3-12,23H,1-2H3,(H,24,25)
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n/an/a 53n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218713
PNG
(9-hydroxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cccc(O)c3NC2=O)c1
Show InChI InChI=1S/C20H17N3O3/c1-26-18-10-12(6-8-14(18)21)11-5-7-13-16(9-11)22-15-3-2-4-17(24)19(15)23-20(13)25/h2-10,22,24H,21H2,1H3,(H,23,25)
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n/an/a 72n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218738
PNG
(3-(4-hydroxy-3-methoxyphenyl)-5,10-dihydro-11H-dib...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-11-13(7-9-18(19)23)12-6-8-14-17(10-12)21-15-4-2-3-5-16(15)22-20(14)24/h2-11,21,23H,1H3,(H,22,24)
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n/an/a 82n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218740
PNG
(2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][...)
Show SMILES COc1cc(ccc1C(N)=O)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H17N3O3/c1-27-19-11-13(7-9-15(19)20(22)25)12-6-8-14-18(10-12)23-16-4-2-3-5-17(16)24-21(14)26/h2-11,23H,1H3,(H2,22,25)(H,24,26)
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n/an/a 88n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218721
PNG
(3-(4-chloro-3-methoxy-phenyl)-5,10-dihydro-dibenzo...)
Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H15ClN2O2/c1-25-19-11-13(7-9-15(19)21)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)
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n/an/a 91n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218728
PNG
(3-(3-methoxy-4-nitrophenyl)-6-(pyridin-4-ylmethoxy...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3c(NC2=O)cccc3OCc2ccncc2)c1
Show InChI InChI=1S/C26H22N4O3/c1-32-24-14-18(6-8-20(24)27)17-5-7-19-22(13-17)29-25-21(30-26(19)31)3-2-4-23(25)33-15-16-9-11-28-12-10-16/h2-14,29H,15,27H2,1H3,(H,30,31)
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n/an/a 104n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218735
PNG
(3-(3-methoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4...)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H16N2O2/c1-24-15-6-4-5-13(11-15)14-9-10-16-19(12-14)21-17-7-2-3-8-18(17)22-20(16)23/h2-12,21H,1H3,(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 880n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218718
PNG
(CHEMBL388435 | methyl 2-(3-(3-Methoxy-4-nitropheny...)
Show SMILES COC(=O)Cc1ccc2Oc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C23H20N2O5/c1-28-21-12-15(5-7-17(21)24)14-4-6-16-20(11-14)30-19-8-3-13(10-22(26)29-2)9-18(19)25-23(16)27/h3-9,11-12H,10,24H2,1-2H3,(H,25,27)
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n/an/a 910n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218731
PNG
(3-(3-cyano-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]d...)
Show SMILES O=C1Nc2ccccc2Nc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H13N3O/c21-12-13-4-3-5-14(10-13)15-8-9-16-19(11-15)22-17-6-1-2-7-18(17)23-20(16)24/h1-11,22H,(H,23,24)
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n/an/a 970n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218702
PNG
(3-(3-methoxy-4-nitrophenyl)-5-methyl-5H-dibenzo[b,...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(c1)N(C)c1ccccc1NC2=O
Show InChI InChI=1S/C21H19N3O2/c1-24-18-6-4-3-5-17(18)23-21(25)15-9-7-13(11-19(15)24)14-8-10-16(22)20(12-14)26-2/h3-12H,22H2,1-2H3,(H,23,25)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218736
PNG
(3-(3-acetyl-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]...)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H16N2O2/c1-13(24)14-5-4-6-15(11-14)16-9-10-17-20(12-16)22-18-7-2-3-8-19(18)23-21(17)25/h2-12,22H,1H3,(H,23,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218716
PNG
(3-(2-methoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4...)
Show SMILES COc1ccccc1-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H16N2O2/c1-24-19-9-5-2-6-14(19)13-10-11-15-18(12-13)21-16-7-3-4-8-17(16)22-20(15)23/h2-12,21H,1H3,(H,22,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant cTAK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK-beta by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218725
PNG
(3-(2-acetyl-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]...)
Show SMILES CC(=O)c1ccccc1-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H16N2O2/c1-13(24)15-6-2-3-7-16(15)14-10-11-17-20(12-14)22-18-8-4-5-9-19(18)23-21(17)25/h2-12,22H,1H3,(H,23,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 8.62E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218737
PNG
(3-(3-ethoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]...)
Show SMILES CCOc1cccc(c1)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H18N2O2/c1-2-25-16-7-5-6-14(12-16)15-10-11-17-20(13-15)22-18-8-3-4-9-19(18)23-21(17)24/h3-13,22H,2H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218714
PNG
(3-phenyl-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11...)
Show SMILES O=C1Nc2ccccc2Nc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c22-19-15-11-10-14(13-6-2-1-3-7-13)12-18(15)20-16-8-4-5-9-17(16)21-19/h1-12,20H,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plk1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EMK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Rsk2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CSF1R by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt3 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218708
PNG
(3-(4-cyano-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]d...)
Show SMILES O=C1Nc2ccccc2Nc2cc(ccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H13N3O/c21-12-13-5-7-14(8-6-13)15-9-10-16-19(11-15)22-17-3-1-2-4-18(17)23-20(16)24/h1-11,22H,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFR by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant SRC by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDC2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant cKit by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218729
PNG
(2-(4-hydroxy-3-methoxy-phenyl)-5,10-dihydro-dibenz...)
Show SMILES COc1cc(ccc1O)-c1ccc2Nc3ccccc3NC(=O)c2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-11-13(7-9-18(19)23)12-6-8-15-14(10-12)20(24)22-17-5-3-2-4-16(17)21-15/h2-11,21,23H,1H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKA by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218707
PNG
(3-(4-acetyl-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]...)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H16N2O2/c1-13(24)14-6-8-15(9-7-14)16-10-11-17-20(12-16)22-18-4-2-3-5-19(18)23-21(17)25/h2-12,22H,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCgamma by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant cTAK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218727
PNG
(3-(4-amino-3-methoxy-phenyl)-5,10-dihydro-dibenzo[...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H17N3O2/c1-25-19-11-13(7-9-15(19)21)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,21H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCdelta by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPKA by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Chk2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EMK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218734
PNG
(8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11...)
Show SMILES Clc1ccc2Nc3ccccc3C(=O)Nc2c1
Show InChI InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 3.18E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant cKit by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218705
PNG
(5H-dibenzo[b,e]azepine-6,11-dione | CHEMBL242201)
Show SMILES O=c1[nH]c2ccccc2c(=O)c2ccccc12
Show InChI InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant SRC by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt3 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCdelta by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt1 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218739
PNG
(5,5-dioxo-5,10-dihydro-5lambda*6*-dibenzo[b,f][1,4...)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C13H9NO3S/c15-13-9-5-1-3-7-11(9)18(16,17)12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKA by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant Chk2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCgamma by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDC2 by radiometric assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218726
PNG
(11-hydroxy-5,11-dihydro-dibenzo[b,e]azepin-6-one |...)
Show SMILES OC1c2ccccc2NC(=O)c2ccccc12 |w:1.0|
Show InChI InChI=1S/C14H11NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8,13,16H,(H,15,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218730
PNG
(3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1
Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)
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n/an/an/an/a 4.95E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218733
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C25H26N4O3/c1-29(2)24(30)11-5-15-4-10-20-22(12-15)28-25(31)18-8-6-16(13-21(18)27-20)17-7-9-19(26)23(14-17)32-3/h4,6-10,12-14,27H,5,11,26H2,1-3H3,(H,28,31)
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n/an/an/an/a 5.19E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218715
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)27-24(30)17-7-5-15(12-20(17)26-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)
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n/an/an/an/a 2.63E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218703
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)37-29-18-21(4-11-26(29)32(40)38-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Cell cycle arrest in HeLa cells assessed as accumulation at G2/M phase by FACS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218723
PNG
(7-amino-3-(4-amino-3-methoxy-phenyl)-5,10-dihydro-...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(N)ccc3NC2=O)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-18-10-13(21)4-7-16(18)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)
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n/an/an/an/a 4.99E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218720
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1
Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Cell cycle arrest in HeLa cells assessed as accumulation at G2/M phase by FACS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218720
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1
Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)
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n/an/an/an/a 3.25E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218723
PNG
(7-amino-3-(4-amino-3-methoxy-phenyl)-5,10-dihydro-...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(N)ccc3NC2=O)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-18-10-13(21)4-7-16(18)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218712
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C33H33N5O4/c1-41-31-20-23(5-11-27(31)34)22-4-10-26-29(19-22)36-28-12-2-21(18-30(28)37-33(26)40)3-13-32(39)35-24-6-8-25(9-7-24)38-14-16-42-17-15-38/h2,4-12,18-20,36H,3,13-17,34H2,1H3,(H,35,39)(H,37,40)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218706
PNG
(CHEMBL429819 | methyl [3-(3-methoxy-4-nitrophenyl)...)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C23H21N3O4/c1-29-21-12-15(5-7-17(21)24)14-4-6-16-19(11-14)25-18-8-3-13(10-22(27)30-2)9-20(18)26-23(16)28/h3-9,11-12,25H,10,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 890n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218733
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C25H26N4O3/c1-29(2)24(30)11-5-15-4-10-20-22(12-15)28-25(31)18-8-6-16(13-21(18)27-20)17-7-9-19(26)23(14-17)32-3/h4,6-10,12-14,27H,5,11,26H2,1-3H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218704
PNG
(3-(4-amino-3-methoxy-phenyl)-7-morpholin-4-yl-5,10...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H24N4O3/c1-30-23-13-16(3-6-19(23)25)15-2-5-18-21(12-15)26-22-14-17(28-8-10-31-11-9-28)4-7-20(22)27-24(18)29/h2-7,12-14,26H,8-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218701
PNG
(8-(1,1-dioxo-1l6-isothiazolidin-2-yl)-3-(3-methoxy...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCS2(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c1-31-22-12-15(4-7-18(22)24)14-3-6-17-20(11-14)25-19-8-5-16(13-21(19)26-23(17)28)27-9-2-10-32(27,29)30/h3-8,11-13,25H,2,9-10,24H2,1H3,(H,26,28)
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n/an/an/an/a 9.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218701
PNG
(8-(1,1-dioxo-1l6-isothiazolidin-2-yl)-3-(3-methoxy...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCS2(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c1-31-22-12-15(4-7-18(22)24)14-3-6-17-20(11-14)25-19-8-5-16(13-21(19)26-23(17)28)27-9-2-10-32(27,29)30/h3-8,11-13,25H,2,9-10,24H2,1H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218730
PNG
(3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1
Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218719
PNG
(8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Show InChI InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218712
PNG
(3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C33H33N5O4/c1-41-31-20-23(5-11-27(31)34)22-4-10-26-29(19-22)36-28-12-2-21(18-30(28)37-33(26)40)3-13-32(39)35-24-6-8-25(9-7-24)38-14-16-42-17-15-38/h2,4-12,18-20,36H,3,13-17,34H2,1H3,(H,35,39)(H,37,40)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Cell cycle arrest in HeLa cells assessed as accumulation at G2/M phase by FACS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218704
PNG
(3-(4-amino-3-methoxy-phenyl)-7-morpholin-4-yl-5,10...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H24N4O3/c1-30-23-13-16(3-6-19(23)25)15-2-5-18-21(12-15)26-22-14-17(28-8-10-31-11-9-28)4-7-20(22)27-24(18)29/h2-7,12-14,26H,8-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 4.61E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218703
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(ccc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)37-29-18-21(4-11-26(29)32(40)38-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50218711
PNG
(8-hydroxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(O)cc3NC2=O)c1
Show InChI InChI=1S/C20H17N3O3/c1-26-19-9-12(3-6-15(19)21)11-2-5-14-17(8-11)22-16-7-4-13(24)10-18(16)23-20(14)25/h2-10,22,24H,21H2,1H3,(H,23,25)
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n/an/an/an/a>5.93E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against HeLa cells by MTS assay


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%