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PubMed code 18718756

Compile data set for download or QSAR
Found 44 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50264550
PNG
(7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...)
Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264551
PNG
(7-(5-(3-(4-hydroxypiperidin-1-yl)propoxy)-1H-indol...)
Show SMILES OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C24H27N3O3/c28-18-7-10-27(11-8-18)9-2-12-30-19-5-6-21-17(13-19)14-22(26-21)20-4-1-3-16-15-25-24(29)23(16)20/h1,3-6,13-14,18,26,28H,2,7-12,15H2,(H,25,29)
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n/an/a 18n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264576
PNG
(7-(5-(3-hydroxypropoxy)-1H-indol-2-yl)isoindolin-1...)
Show SMILES OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C19H18N2O3/c22-7-2-8-24-14-5-6-16-13(9-14)10-17(21-16)15-4-1-3-12-11-20-19(23)18(12)15/h1,3-6,9-10,21-22H,2,7-8,11H2,(H,20,23)
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264550
PNG
(7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...)
Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)
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n/an/a 44n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
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n/an/a 56n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264551
PNG
(7-(5-(3-(4-hydroxypiperidin-1-yl)propoxy)-1H-indol...)
Show SMILES OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C24H27N3O3/c28-18-7-10-27(11-8-18)9-2-12-30-19-5-6-21-17(13-19)14-22(26-21)20-4-1-3-16-15-25-24(29)23(16)20/h1,3-6,13-14,18,26,28H,2,7-12,15H2,(H,25,29)
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n/an/a 61n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264578
PNG
(7-(5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)iso...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)
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n/an/a 65n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264579
PNG
(7-(5-(2-morpholinoethoxy)-1H-indol-2-yl)isoindolin...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-13,24H,6-11,14H2,(H,23,26)
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n/an/a 74n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264611
PNG
(7-(5-hydroxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C16H12N2O2/c19-11-4-5-13-10(6-11)7-14(18-13)12-3-1-2-9-8-17-16(20)15(9)12/h1-7,18-19H,8H2,(H,17,20)
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n/an/a 90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264576
PNG
(7-(5-(3-hydroxypropoxy)-1H-indol-2-yl)isoindolin-1...)
Show SMILES OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C19H18N2O3/c22-7-2-8-24-14-5-6-16-13(9-14)10-17(21-16)15-4-1-3-12-11-20-19(23)18(12)15/h1,3-6,9-10,21-22H,2,7-8,11H2,(H,20,23)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264612
PNG
(7-(1H-indol-2-yl)isoindolin-1-one | CHEMBL482621)
Show SMILES O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
Show InChI InChI=1S/C16H12N2O/c19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14/h1-8,18H,9H2,(H,17,19)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264611
PNG
(7-(5-hydroxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C16H12N2O2/c19-11-4-5-13-10(6-11)7-14(18-13)12-3-1-2-9-8-17-16(20)15(9)12/h1-7,18-19H,8H2,(H,17,20)
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n/an/a 119n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264579
PNG
(7-(5-(2-morpholinoethoxy)-1H-indol-2-yl)isoindolin...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-13,24H,6-11,14H2,(H,23,26)
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n/an/a 135n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264614
PNG
(7-(5-methoxy-1H-benzo[d]imidazol-2-yl)isoindolin-1...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C16H13N3O2/c1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
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n/an/a 142n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264612
PNG
(7-(1H-indol-2-yl)isoindolin-1-one | CHEMBL482621)
Show SMILES O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
Show InChI InChI=1S/C16H12N2O/c19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14/h1-8,18H,9H2,(H,17,19)
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n/an/a 144n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264578
PNG
(7-(5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)iso...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)
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n/an/a 179n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264614
PNG
(7-(5-methoxy-1H-benzo[d]imidazol-2-yl)isoindolin-1...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C16H13N3O2/c1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
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n/an/a 205n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264580
PNG
(7-(5-methoxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C17H14N2O2/c1-21-12-5-6-14-11(7-12)8-15(19-14)13-4-2-3-10-9-18-17(20)16(10)13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/a 338n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264548
PNG
(7-(1H-pyrrol-2-yl)isoindolin-1-one | CHEMBL491045)
Show SMILES O=C1NCc2cccc(-c3ccc[nH]3)c12
Show InChI InChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)
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n/an/a 338n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264548
PNG
(7-(1H-pyrrol-2-yl)isoindolin-1-one | CHEMBL491045)
Show SMILES O=C1NCc2cccc(-c3ccc[nH]3)c12
Show InChI InChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264580
PNG
(7-(5-methoxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C17H14N2O2/c1-21-12-5-6-14-11(7-12)8-15(19-14)13-4-2-3-10-9-18-17(20)16(10)13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264615
PNG
(CHEMBL484677 | N-(4-methoxyphenyl)-3-oxoisoindolin...)
Show SMILES COc1ccc(NC(=O)c2cccc3CNC(=O)c23)cc1
Show InChI InChI=1S/C16H14N2O3/c1-21-12-7-5-11(6-8-12)18-15(19)13-4-2-3-10-9-17-16(20)14(10)13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
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n/an/a 5.94E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264613
PNG
(7-(5-(benzyloxy)-1H-indol-2-yl)isoindolin-1-one | ...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264611
PNG
(7-(5-hydroxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C16H12N2O2/c19-11-4-5-13-10(6-11)7-14(18-13)12-3-1-2-9-8-17-16(20)15(9)12/h1-7,18-19H,8H2,(H,17,20)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264616
PNG
(3-oxoisoindoline-4-carboxamide | CHEMBL505167)
Show SMILES NC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264613
PNG
(7-(5-(benzyloxy)-1H-indol-2-yl)isoindolin-1-one | ...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264658
PNG
(CHEMBL473040 | methyl 3-oxoisoindoline-4-carboxyla...)
Show SMILES COC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-11-9(12)8(6)7/h2-4H,5H2,1H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264578
PNG
(7-(5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)iso...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264612
PNG
(7-(1H-indol-2-yl)isoindolin-1-one | CHEMBL482621)
Show SMILES O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
Show InChI InChI=1S/C16H12N2O/c19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264579
PNG
(7-(5-(2-morpholinoethoxy)-1H-indol-2-yl)isoindolin...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-13,24H,6-11,14H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264551
PNG
(7-(5-(3-(4-hydroxypiperidin-1-yl)propoxy)-1H-indol...)
Show SMILES OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C24H27N3O3/c28-18-7-10-27(11-8-18)9-2-12-30-19-5-6-21-17(13-19)14-22(26-21)20-4-1-3-16-15-25-24(29)23(16)20/h1,3-6,13-14,18,26,28H,2,7-12,15H2,(H,25,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264616
PNG
(3-oxoisoindoline-4-carboxamide | CHEMBL505167)
Show SMILES NC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264549
PNG
(CHEMBL491243 | tert-butyl 2-(2-methyl-3-oxoisoindo...)
Show SMILES CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-10-6-9-14(20)13-8-5-7-12-11-19(4)16(21)15(12)13/h5-10H,11H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264659
PNG
(3-oxoisoindoline-4-carboxylic acid | CHEMBL505379)
Show SMILES OC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264550
PNG
(7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...)
Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264613
PNG
(7-(5-(benzyloxy)-1H-indol-2-yl)isoindolin-1-one | ...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264549
PNG
(CHEMBL491243 | tert-butyl 2-(2-methyl-3-oxoisoindo...)
Show SMILES CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-10-6-9-14(20)13-8-5-7-12-11-19(4)16(21)15(12)13/h5-10H,11H2,1-4H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
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))
BDBM50264549
PNG
(CHEMBL491243 | tert-butyl 2-(2-methyl-3-oxoisoindo...)
Show SMILES CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-10-6-9-14(20)13-8-5-7-12-11-19(4)16(21)15(12)13/h5-10H,11H2,1-4H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264576
PNG
(7-(5-(3-hydroxypropoxy)-1H-indol-2-yl)isoindolin-1...)
Show SMILES OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C19H18N2O3/c22-7-2-8-24-14-5-6-16-13(9-14)10-17(21-16)15-4-1-3-12-11-20-19(23)18(12)15/h1,3-6,9-10,21-22H,2,7-8,11H2,(H,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264580
PNG
(7-(5-methoxy-1H-indol-2-yl)isoindolin-1-one | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
Show InChI InChI=1S/C17H14N2O2/c1-21-12-5-6-14-11(7-12)8-15(19-14)13-4-2-3-10-9-18-17(20)16(10)13/h2-8,19H,9H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264658
PNG
(CHEMBL473040 | methyl 3-oxoisoindoline-4-carboxyla...)
Show SMILES COC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-11-9(12)8(6)7/h2-4H,5H2,1H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264659
PNG
(3-oxoisoindoline-4-carboxylic acid | CHEMBL505379)
Show SMILES OC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%