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PubMed code 20655209

Compile data set for download or QSAR
Found 18 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))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant YES after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
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))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a 3.42E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a 3.81E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant YES after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant TrkA after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pim1 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Abl after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Abl after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant TrkA after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIPK1 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIPK1 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pim1 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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n/an/a 1.07E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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n/an/a 1.34E+5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%