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PubMed code 20681538

Compile data set for download or QSAR
Found 61 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
Aurora kinase A


(Homo sapiens (Human))
BDBM50324264
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(pyrrolidin-1-ylsulfonyl)...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C24H25N3O6S/c28-21-5-3-4-19-23(21)15(7-9-22(29)30)20(25-19)13-17-16-12-14(6-8-18(16)26-24(17)31)34(32,33)27-10-1-2-11-27/h6,8,12-13,25H,1-5,7,9-11H2,(H,26,31)(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324267
PNG
((Z)-3-(2-{[5-(Indolin-1-ylsulfonyl)-2-oxoindolin-3...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C28H25N3O6S/c32-25-7-3-5-22-27(25)18(9-11-26(33)34)23(29-22)15-20-19-14-17(8-10-21(19)30-28(20)35)38(36,37)31-13-12-16-4-1-2-6-24(16)31/h1-2,4,6,8,10,14-15,29H,3,5,7,9,11-13H2,(H,30,35)(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324269
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)indoli...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C26H23N3O6S/c30-23-8-4-7-21-25(23)17(10-12-24(31)32)22(27-21)14-19-18-13-15(9-11-20(18)28-26(19)33)29-36(34,35)16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,27,29H,4,7-8,10,12H2,(H,28,33)(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324265
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(piperidin-1-ylsulfonyl)i...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C25H27N3O6S/c29-22-6-4-5-20-24(22)16(8-10-23(30)31)21(26-20)14-18-17-13-15(7-9-19(17)27-25(18)32)35(33,34)28-11-2-1-3-12-28/h7,9,13-14,26H,1-6,8,10-12H2,(H,27,32)(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324263
PNG
((Z)-3-(2-{[5-(N,N-Dimethylsulfamoyl)-2-oxoindolin-...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
Show InChI InChI=1S/C22H23N3O6S/c1-25(2)32(30,31)12-6-8-16-14(10-12)15(22(29)24-16)11-18-13(7-9-20(27)28)21-17(23-18)4-3-5-19(21)26/h6,8,10-11,23H,3-5,7,9H2,1-2H3,(H,24,29)(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324266
PNG
((Z)-3-(2-{[5-(Morpholinosulfonyl)-2-oxoindolin-3-y...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C24H25N3O7S/c28-21-3-1-2-19-23(21)15(5-7-22(29)30)20(25-19)13-17-16-12-14(4-6-18(16)26-24(17)31)35(32,33)27-8-10-34-11-9-27/h4,6,12-13,25H,1-3,5,7-11H2,(H,26,31)(H,29,30)
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n/an/a 29n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324262
PNG
((Z)-3-(2-{[5-(N-Methylsulfamoyl)-2-oxoindolin-3-yl...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
Show InChI InChI=1S/C21H21N3O6S/c1-22-31(29,30)11-5-7-15-13(9-11)14(21(28)24-15)10-17-12(6-8-19(26)27)20-16(23-17)3-2-4-18(20)25/h5,7,9-10,22-23H,2-4,6,8H2,1H3,(H,24,28)(H,26,27)
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n/an/a 31n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324268
PNG
((Z)-3-(2-{[5-(Ethylsulfonamido)-2-oxoindolin-3-yli...)
Show SMILES CCS(=O)(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
Show InChI InChI=1S/C22H23N3O6S/c1-2-32(30,31)25-12-6-8-16-14(10-12)15(22(29)24-16)11-18-13(7-9-20(27)28)21-17(23-18)4-3-5-19(21)26/h6,8,10-11,23,25H,2-5,7,9H2,1H3,(H,24,29)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324258
PNG
((Z)-3-(2-{[5-(Allylsulfonyl)-2-oxoindolin-3-yliden...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)CC=C)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C23H22N2O6S/c1-2-10-32(30,31)13-6-8-17-15(11-13)16(23(29)25-17)12-19-14(7-9-21(27)28)22-18(24-19)4-3-5-20(22)26/h2,6,8,11-12,24H,1,3-5,7,9-10H2,(H,25,29)(H,27,28)
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n/an/a 39n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324257
PNG
((Z)-3-(2-{[5-(Ethylsulfonyl)-2-oxoindolin-3-yliden...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
Show InChI InChI=1S/C22H22N2O6S/c1-2-31(29,30)12-6-8-16-14(10-12)15(22(28)24-16)11-18-13(7-9-20(26)27)21-17(23-18)4-3-5-19(21)25/h6,8,10-11,23H,2-5,7,9H2,1H3,(H,24,28)(H,26,27)
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n/an/a 57n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324261
PNG
((Z)-3-{4-Oxo-2-[(2-oxo-5-sulfamoylindolin-3-yliden...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
Show InChI InChI=1S/C20H19N3O6S/c21-30(28,29)10-4-6-14-12(8-10)13(20(27)23-14)9-16-11(5-7-18(25)26)19-15(22-16)2-1-3-17(19)24/h4,6,8-9,22H,1-3,5,7H2,(H,23,27)(H,25,26)(H2,21,28,29)
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n/an/a 61n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324270
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylmethylsulfonamido)...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C27H25N3O6S/c31-24-8-4-7-22-26(24)18(10-12-25(32)33)23(28-22)14-20-19-13-17(9-11-21(19)29-27(20)34)30-37(35,36)15-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,28,30H,4,7-8,10,12,15H2,(H,29,34)(H,32,33)
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n/an/a 63n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324271
PNG
((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)
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n/an/a 84n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324274
PNG
((Z)-N-Methyl-3-(4-oxo-2-{[2-oxo-5-(phenylsulfonami...)
Show SMILES CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C27H26N4O5S/c1-28-25(33)13-11-18-23(29-22-8-5-9-24(32)26(18)22)15-20-19-14-16(10-12-21(19)30-27(20)34)31-37(35,36)17-6-3-2-4-7-17/h2-4,6-7,10,12,14-15,29,31H,5,8-9,11,13H2,1H3,(H,28,33)(H,30,34)
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n/an/a 117n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324269
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)indoli...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C26H23N3O6S/c30-23-8-4-7-21-25(23)17(10-12-24(31)32)22(27-21)14-19-18-13-15(9-11-20(18)28-26(19)33)29-36(34,35)16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,27,29H,4,7-8,10,12H2,(H,28,33)(H,31,32)
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n/an/a 156n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324284
PNG
((Z)-3-{2-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C20H17FN2O4/c21-10-4-6-14-12(8-10)13(20(27)23-14)9-16-11(5-7-18(25)26)19-15(22-16)2-1-3-17(19)24/h4,6,8-9,22H,1-3,5,7H2,(H,23,27)(H,25,26)
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n/an/a 178n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324283
PNG
((Z)-3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)methyl]-4,...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C20H18N2O4/c23-17-7-3-6-15-19(17)12(8-9-18(24)25)16(21-15)10-13-11-4-1-2-5-14(11)22-20(13)26/h1-2,4-5,10,21H,3,6-9H2,(H,22,26)(H,24,25)
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n/an/a 208n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324251
PNG
((Z)-3-{2-[(5-Bromo-2-oxoindolin-3-ylidene)methyl]-...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C20H17BrN2O4/c21-10-4-6-14-12(8-10)13(20(27)23-14)9-16-11(5-7-18(25)26)19-15(22-16)2-1-3-17(19)24/h4,6,8-9,22H,1-3,5,7H2,(H,23,27)(H,25,26)
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n/an/a 210n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324271
PNG
((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324272
PNG
((Z)-N-[2-Oxo-3-({4-oxo-3-[3-oxo-3-(pyrrolidin-1-yl...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5|
Show InChI InChI=1S/C30H30N4O5S/c35-27-10-6-9-25-29(27)21(12-14-28(36)34-15-4-5-16-34)26(31-25)18-23-22-17-19(11-13-24(22)32-30(23)37)33-40(38,39)20-7-2-1-3-8-20/h1-3,7-8,11,13,17-18,31,33H,4-6,9-10,12,14-16H2,(H,32,37)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324255
PNG
((Z)-3-{2-[(5-Acetamido-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
Show InChI InChI=1S/C22H21N3O5/c1-11(26)23-12-5-7-16-14(9-12)15(22(30)25-16)10-18-13(6-8-20(28)29)21-17(24-18)3-2-4-19(21)27/h5,7,9-10,24H,2-4,6,8H2,1H3,(H,23,26)(H,25,30)(H,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324259
PNG
((Z)-3-(2-{[5-(Benzylsulfonyl)-2-oxoindolin-3-ylide...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccccc2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C27H24N2O6S/c30-24-8-4-7-22-26(24)18(10-12-25(31)32)23(28-22)14-20-19-13-17(9-11-21(19)29-27(20)33)36(34,35)15-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,28H,4,7-8,10,12,15H2,(H,29,33)(H,31,32)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324273
PNG
((Z)-N-(3-{[3-(3-Morpholino-3-oxopropyl)-4-oxo-4,5,...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
Show InChI InChI=1S/C30H30N4O6S/c35-27-8-4-7-25-29(27)21(10-12-28(36)34-13-15-40-16-14-34)26(31-25)18-23-22-17-19(9-11-24(22)32-30(23)37)33-41(38,39)20-5-2-1-3-6-20/h1-3,5-6,9,11,17-18,31,33H,4,7-8,10,12-16H2,(H,32,37)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324267
PNG
((Z)-3-(2-{[5-(Indolin-1-ylsulfonyl)-2-oxoindolin-3...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C28H25N3O6S/c32-25-7-3-5-22-27(25)18(9-11-26(33)34)23(29-22)15-20-19-14-17(8-10-21(19)30-28(20)35)38(36,37)31-13-12-16-4-1-2-6-24(16)31/h1-2,4,6,8,10,14-15,29H,3,5,7,9,11-13H2,(H,30,35)(H,33,34)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324276
PNG
((Z)-N-[2-Oxo-3-({4-oxo-3-[3-(pyrrolidin-1-yl)propy...)
Show SMILES O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2CCCC(=O)c2c1CCCN1CCCC1 |w:20.23|
Show InChI InChI=1S/C30H32N4O4S/c35-28-12-6-11-26-29(28)22(10-7-17-34-15-4-5-16-34)27(31-26)19-24-23-18-20(13-14-25(23)32-30(24)36)33-39(37,38)21-8-2-1-3-9-21/h1-3,8-9,13-14,18-19,31,33H,4-7,10-12,15-17H2,(H,32,36)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324279
PNG
((Z)-3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6,7-...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C30H32N4O4S/c1-33(2)15-6-8-21-26(31-25-9-5-11-28(35)29(21)25)18-23-22-17-20(12-13-24(22)32-30(23)36)39(37,38)34-16-14-19-7-3-4-10-27(19)34/h3-4,7,10,12-13,17-18,31H,5-6,8-9,11,14-16H2,1-2H3,(H,32,36)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324274
PNG
((Z)-N-Methyl-3-(4-oxo-2-{[2-oxo-5-(phenylsulfonami...)
Show SMILES CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C27H26N4O5S/c1-28-25(33)13-11-18-23(29-22-8-5-9-24(32)26(18)22)15-20-19-14-16(10-12-21(19)30-27(20)34)31-37(35,36)17-6-3-2-4-7-17/h2-4,6-7,10,12,14-15,29,31H,5,8-9,11,13H2,1H3,(H,28,33)(H,30,34)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324278
PNG
((Z)-N-[3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,...)
Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9|
Show InChI InChI=1S/C30H34N4O4S/c1-3-34(4-2)17-9-12-22-27(31-26-13-8-14-28(35)29(22)26)19-24-23-18-20(15-16-25(23)32-30(24)36)33-39(37,38)21-10-6-5-7-11-21/h5-7,10-11,15-16,18-19,31,33H,3-4,8-9,12-14,17H2,1-2H3,(H,32,36)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324253
PNG
((Z)-3-(2-{[5-(4-Hydroxy-3-methoxyphenyl)-2-oxoindo...)
Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:17.18|
Show InChI InChI=1S/C27H24N2O6/c1-35-24-12-15(6-9-22(24)30)14-5-8-19-17(11-14)18(27(34)29-19)13-21-16(7-10-25(32)33)26-20(28-21)3-2-4-23(26)31/h5-6,8-9,11-13,28,30H,2-4,7,10H2,1H3,(H,29,34)(H,32,33)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324250
PNG
((Z)-3-{4-Acetyl-2-[(5-fluoro-2-oxoindolin-3-yliden...)
Show SMILES CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O |w:8.7|
Show InChI InChI=1S/C19H17FN2O4/c1-9-18(10(2)23)12(4-6-17(24)25)16(21-9)8-14-13-7-11(20)3-5-15(13)22-19(14)26/h3,5,7-8,21H,4,6H2,1-2H3,(H,22,26)(H,24,25)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324270
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylmethylsulfonamido)...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C27H25N3O6S/c31-24-8-4-7-22-26(24)18(10-12-25(32)33)23(28-22)14-20-19-13-17(9-11-21(19)29-27(20)34)30-37(35,36)15-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,28,30H,4,7-8,10,12,15H2,(H,29,34)(H,32,33)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324264
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(pyrrolidin-1-ylsulfonyl)...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C24H25N3O6S/c28-21-5-3-4-19-23(21)15(7-9-22(29)30)20(25-19)13-17-16-12-14(6-8-18(16)26-24(17)31)34(32,33)27-10-1-2-11-27/h6,8,12-13,25H,1-5,7,9-11H2,(H,26,31)(H,29,30)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324260
PNG
((Z)-3-(2-{[5-(4-Fluorobenzylsulfonyl)-2-oxoindolin...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C27H23FN2O6S/c28-16-6-4-15(5-7-16)14-37(35,36)17-8-10-21-19(12-17)20(27(34)30-21)13-23-18(9-11-25(32)33)26-22(29-23)2-1-3-24(26)31/h4-8,10,12-13,29H,1-3,9,11,14H2,(H,30,34)(H,32,33)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324285
PNG
((Z)-3-{2-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]...)
Show SMILES CC1(C)Cc2[nH]c(C=C3C(=O)Nc4ccc(F)cc34)c(CCC(O)=O)c2C(=O)C1 |w:7.6|
Show InChI InChI=1S/C22H21FN2O4/c1-22(2)9-17-20(18(26)10-22)12(4-6-19(27)28)16(24-17)8-14-13-7-11(23)3-5-15(13)25-21(14)29/h3,5,7-8,24H,4,6,9-10H2,1-2H3,(H,25,29)(H,27,28)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324265
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(piperidin-1-ylsulfonyl)i...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C25H27N3O6S/c29-22-6-4-5-20-24(22)16(8-10-23(30)31)21(26-20)14-18-17-13-15(7-9-19(17)27-25(18)32)35(33,34)28-11-2-1-3-12-28/h7,9,13-14,26H,1-6,8,10-12H2,(H,27,32)(H,30,31)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324254
PNG
((Z)-3-(2-{[5-(3,4-Dimethoxyphenyl)-2-oxoindolin-3-...)
Show SMILES COc1ccc(cc1OC)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:18.19|
Show InChI InChI=1S/C28H26N2O6/c1-35-24-10-7-16(13-25(24)36-2)15-6-9-20-18(12-15)19(28(34)30-20)14-22-17(8-11-26(32)33)27-21(29-22)4-3-5-23(27)31/h6-7,9-10,12-14,29H,3-5,8,11H2,1-2H3,(H,30,34)(H,32,33)
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n/an/a 560n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324275
PNG
((Z)-5-(Indolin-1-ylsulfonyl)-3-{[3-(3-morpholino-3...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
Show InChI InChI=1S/C32H32N4O6S/c37-29-7-3-5-26-31(29)22(9-11-30(38)35-14-16-42-17-15-35)27(33-26)19-24-23-18-21(8-10-25(23)34-32(24)39)43(40,41)36-13-12-20-4-1-2-6-28(20)36/h1-2,4,6,8,10,18-19,33H,3,5,7,9,11-17H2,(H,34,39)
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n/an/a 563n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324280
PNG
((Z)-3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,7-t...)
Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:10.9|
Show InChI InChI=1S/C32H36N4O4S/c1-3-35(4-2)17-8-10-23-28(33-27-11-7-13-30(37)31(23)27)20-25-24-19-22(14-15-26(24)34-32(25)38)41(39,40)36-18-16-21-9-5-6-12-29(21)36/h5-6,9,12,14-15,19-20,33H,3-4,7-8,10-11,13,16-18H2,1-2H3,(H,34,38)
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n/an/a 616n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324272
PNG
((Z)-N-[2-Oxo-3-({4-oxo-3-[3-oxo-3-(pyrrolidin-1-yl...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5|
Show InChI InChI=1S/C30H30N4O5S/c35-27-10-6-9-25-29(27)21(12-14-28(36)34-15-4-5-16-34)26(31-25)18-23-22-17-19(11-13-24(22)32-30(23)37)33-40(38,39)20-7-2-1-3-8-20/h1-3,7-8,11,13,17-18,31,33H,4-6,9-10,12,14-16H2,(H,32,37)
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n/an/a 719n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324256
PNG
((Z)-3-{2-[(5-Benzamido-2-oxoindolin-3-ylidene)meth...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C27H23N3O5/c31-23-8-4-7-21-25(23)17(10-12-24(32)33)22(29-21)14-19-18-13-16(9-11-20(18)30-27(19)35)28-26(34)15-5-2-1-3-6-15/h1-3,5-6,9,11,13-14,29H,4,7-8,10,12H2,(H,28,34)(H,30,35)(H,32,33)
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n/an/a 720n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324252
PNG
((Z)-3-{2-[(5-Nitro-2-oxoindolin-3-ylidene)methyl]-...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C20H17N3O6/c24-17-3-1-2-15-19(17)11(5-7-18(25)26)16(21-15)9-13-12-8-10(23(28)29)4-6-14(12)22-20(13)27/h4,6,8-9,21H,1-3,5,7H2,(H,22,27)(H,25,26)
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n/an/a 724n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324273
PNG
((Z)-N-(3-{[3-(3-Morpholino-3-oxopropyl)-4-oxo-4,5,...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
Show InChI InChI=1S/C30H30N4O6S/c35-27-8-4-7-25-29(27)21(10-12-28(36)34-13-15-40-16-14-34)26(31-25)18-23-22-17-19(9-11-24(22)32-30(23)37)33-41(38,39)20-5-2-1-3-6-20/h1-3,5-6,9,11,17-18,31,33H,4,7-8,10,12-16H2,(H,32,37)
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n/an/a 906n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50324271
PNG
((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
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))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50324271
PNG
((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50324271
PNG
((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by radiometric method


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324263
PNG
((Z)-3-(2-{[5-(N,N-Dimethylsulfamoyl)-2-oxoindolin-...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
Show InChI InChI=1S/C22H23N3O6S/c1-25(2)32(30,31)12-6-8-16-14(10-12)15(22(29)24-16)11-18-13(7-9-20(27)28)21-17(23-18)4-3-5-19(21)26/h6,8,10-11,23H,3-5,7,9H2,1-2H3,(H,24,29)(H,27,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324281
PNG
((Z)-Ethyl 3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)meth...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C22H22N2O4/c1-2-28-20(26)11-10-14-18(23-17-8-5-9-19(25)21(14)17)12-15-13-6-3-4-7-16(13)24-22(15)27/h3-4,6-7,12,23H,2,5,8-11H2,1H3,(H,24,27)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324266
PNG
((Z)-3-(2-{[5-(Morpholinosulfonyl)-2-oxoindolin-3-y...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C24H25N3O7S/c28-21-3-1-2-19-23(21)15(5-7-22(29)30)20(25-19)13-17-16-12-14(4-6-18(16)26-24(17)31)35(32,33)27-8-10-34-11-9-27/h4,6,12-13,25H,1-3,5,7-11H2,(H,26,31)(H,29,30)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324282
PNG
((Z)-Ethyl 3-{2-[(5-Fluoro-2-oxoindolin-3-ylidene)m...)
Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
Show InChI InChI=1S/C22H21FN2O4/c1-2-29-20(27)9-7-13-18(24-17-4-3-5-19(26)21(13)17)11-15-14-10-12(23)6-8-16(14)25-22(15)28/h6,8,10-11,24H,2-5,7,9H2,1H3,(H,25,28)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324276
PNG
((Z)-N-[2-Oxo-3-({4-oxo-3-[3-(pyrrolidin-1-yl)propy...)
Show SMILES O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2CCCC(=O)c2c1CCCN1CCCC1 |w:20.23|
Show InChI InChI=1S/C30H32N4O4S/c35-28-12-6-11-26-29(28)22(10-7-17-34-15-4-5-16-34)27(31-26)19-24-23-18-20(13-14-25(23)32-30(24)36)33-39(37,38)21-8-2-1-3-9-21/h1-3,8-9,13-14,18-19,31,33H,4-7,10-12,15-17H2,(H,32,36)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324277
PNG
((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324279
PNG
((Z)-3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6,7-...)
Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7|
Show InChI InChI=1S/C30H32N4O4S/c1-33(2)15-6-8-21-26(31-25-9-5-11-28(35)29(21)25)18-23-22-17-20(12-13-24(22)32-30(23)36)39(37,38)34-16-14-19-7-3-4-10-27(19)34/h3-4,7,10,12-13,17-18,31H,5-6,8-9,11,14-16H2,1-2H3,(H,32,36)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324280
PNG
((Z)-3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,7-t...)
Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:10.9|
Show InChI InChI=1S/C32H36N4O4S/c1-3-35(4-2)17-8-10-23-28(33-27-11-7-13-30(37)31(23)27)20-25-24-19-22(14-15-26(24)34-32(25)38)41(39,40)36-18-16-21-9-5-6-12-29(21)36/h5-6,9,12,14-15,19-20,33H,3-4,7-8,10-11,13,16-18H2,1-2H3,(H,34,38)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324278
PNG
((Z)-N-[3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,...)
Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9|
Show InChI InChI=1S/C30H34N4O4S/c1-3-34(4-2)17-9-12-22-27(31-26-13-8-14-28(35)29(22)26)19-24-23-18-20(15-16-25(23)32-30(24)36)33-39(37,38)21-10-6-5-7-11-21/h5-7,10-11,15-16,18-19,31,33H,3-4,8-9,12-14,17H2,1-2H3,(H,32,36)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324275
PNG
((Z)-5-(Indolin-1-ylsulfonyl)-3-{[3-(3-morpholino-3...)
Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
Show InChI InChI=1S/C32H32N4O6S/c37-29-7-3-5-26-31(29)22(9-11-30(38)35-14-16-42-17-15-35)27(33-26)19-24-23-18-21(8-10-25(23)34-32(24)39)43(40,41)36-13-12-20-4-1-2-6-28(20)36/h1-2,4,6,8,10,18-19,33H,3,5,7,9,11-17H2,(H,34,39)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%