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PubMed code 17425296

Compile data set for download or QSAR
Found 161 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


(Homo sapiens (human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt1


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210309
PNG
(4-methyl-1-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)C(=O)C1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(27(34)18-32)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210300
PNG
(CHEMBL225311 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5OS/c1-34-12-14-35(15-13-34)19-21-9-10-26-23(16-21)18-27-28(32-33-29(26)27)24-17-25(37-20-24)8-5-11-31-30(36)22-6-3-2-4-7-22/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt1


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210300
PNG
(CHEMBL225311 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5OS/c1-34-12-14-35(15-13-34)19-21-9-10-26-23(16-21)18-27-28(32-33-29(26)27)24-17-25(37-20-24)8-5-11-31-30(36)22-6-3-2-4-7-22/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210299
PNG
(6-(2-(4-methylpiperazin-1-yl)ethyl)-3-(5-(3-phenox...)
Show SMILES CN1CCN(CCc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-13-15-34(16-14-33)12-11-22-9-10-27-23(18-22)20-28-29(31-32-30(27)28)24-19-26(36-21-24)8-5-17-35-25-6-3-2-4-7-25/h2-4,6-7,9-10,18-19,21H,11-17,20H2,1H3,(H,31,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210309
PNG
(4-methyl-1-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)C(=O)C1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(27(34)18-32)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210269
PNG
(4-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihyd...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-2-3-11-29/h5-6,12-13,16,29H,3,7-11,14-15H2,1H3,(H,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210277
PNG
(3-(5-(3-methoxyprop-1-ynyl)thiophen-3-yl)-6-((4-me...)
Show SMILES COCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-3-11-29-2/h5-6,12-13,16H,7-11,14-15H2,1-2H3,(H,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210293
PNG
(4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES NC(=O)N1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H27N5O2S/c30-29(35)34-12-10-33(11-13-34)18-20-8-9-25-21(15-20)17-26-27(31-32-28(25)26)22-16-24(37-19-22)7-4-14-36-23-5-2-1-3-6-23/h1-3,5-6,8-9,15-16,19H,10-14,17-18H2,(H2,30,35)(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210316
PNG
(3-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCSC3)ccc-21
Show InChI InChI=1S/C27H23N3OS2/c1-2-5-22(6-3-1)31-11-4-7-23-14-21(17-33-23)26-25-15-20-13-19(16-30-10-12-32-18-30)8-9-24(20)27(25)29-28-26/h1-3,5-6,8-9,13-14,17H,10-12,15-16,18H2,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210306
PNG
(6-(4-methylpiperazin-1-yl)-3-(5-(3-phenoxyprop-1-y...)
Show SMILES CN1CCN(CC1)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C28H26N4OS/c1-31-11-13-32(14-12-31)22-9-10-25-20(16-22)18-26-27(29-30-28(25)26)21-17-24(34-19-21)8-5-15-33-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210296
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc2-c3ccc(CN4CCN(C)CC4)cc3C(=O)c12
Show InChI InChI=1S/C26H28N4O3S/c1-29-7-9-30(10-8-29)16-18-5-6-21-22(14-18)26(31)23-24(27-28-25(21)23)19-15-20(34-17-19)4-3-11-33-13-12-32-2/h5-6,14-15,17H,7-13,16H2,1-2H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210306
PNG
(6-(4-methylpiperazin-1-yl)-3-(5-(3-phenoxyprop-1-y...)
Show SMILES CN1CCN(CC1)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C28H26N4OS/c1-31-11-13-32(14-12-31)22-9-10-25-20(16-22)18-26-27(29-30-28(25)26)21-17-24(34-19-21)8-5-15-33-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210314
PNG
(6-((1-methylpiperidin-4-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCC(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-33-13-11-21(12-14-33)16-22-9-10-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,17-18,20-21H,11-16,19H2,1H3,(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210285
PNG
(1-methyl-4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(18-27(32)34)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210305
PNG
(1-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Nc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N6OS/c1-35-12-14-36(15-13-35)19-21-9-10-26-22(16-21)18-27-28(33-34-29(26)27)23-17-25(38-20-23)8-5-11-31-30(37)32-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,33,34)(H2,31,32,37)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210296
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc2-c3ccc(CN4CCN(C)CC4)cc3C(=O)c12
Show InChI InChI=1S/C26H28N4O3S/c1-29-7-9-30(10-8-29)16-18-5-6-21-22(14-18)26(31)23-24(27-28-25(21)23)19-15-20(34-17-19)4-3-11-33-13-12-32-2/h5-6,14-15,17H,7-13,16H2,1-2H3,(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210303
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-9-16(12-28-15-24-14-25-28)4-5-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210305
PNG
(1-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Nc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N6OS/c1-35-12-14-36(15-13-35)19-21-9-10-26-22(16-21)18-27-28(33-34-29(26)27)23-17-25(38-20-23)8-5-11-31-30(37)32-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,33,34)(H2,31,32,37)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210289
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-10-4-7-22-12-20(15-33-22)25-24-13-19-11-18(14-31-17-27-16-28-31)8-9-23(19)26(24)30-29-25/h1-3,5-6,8-9,11-12,15-17H,10,13-14H2,(H,29,30)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210285
PNG
(1-methyl-4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(18-27(32)34)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210293
PNG
(4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES NC(=O)N1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H27N5O2S/c30-29(35)34-12-10-33(11-13-34)18-20-8-9-25-21(15-20)17-26-27(31-32-28(25)26)22-16-24(37-19-22)7-4-14-36-23-5-2-1-3-6-23/h1-3,5-6,8-9,15-16,19H,10-14,17-18H2,(H2,30,35)(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210301
PNG
(6-((1H-pyrazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cccn3)ccc-21
Show InChI InChI=1S/C27H20N4OS/c1-2-6-22(7-3-1)32-13-4-8-23-15-21(18-33-23)26-25-16-20-14-19(17-31-12-5-11-28-31)9-10-24(20)27(25)30-29-26/h1-3,5-7,9-12,14-15,18H,13,16-17H2,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210308
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(s3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-13-15-33(16-14-32)20-21-9-11-25-22(18-21)19-26-28(25)30-31-29(26)27-12-10-24(35-27)8-5-17-34-23-6-3-2-4-7-23/h2-4,6-7,9-12,18H,13-17,19-20H2,1H3,(H,30,31)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210277
PNG
(3-(5-(3-methoxyprop-1-ynyl)thiophen-3-yl)-6-((4-me...)
Show SMILES COCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-3-11-29-2/h5-6,12-13,16H,7-11,14-15H2,1-2H3,(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210316
PNG
(3-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCSC3)ccc-21
Show InChI InChI=1S/C27H23N3OS2/c1-2-5-22(6-3-1)31-11-4-7-23-14-21(17-33-23)26-25-15-20-13-19(16-30-10-12-32-18-30)8-9-24(20)27(25)29-28-26/h1-3,5-6,8-9,13-14,17H,10-12,15-16,18H2,(H,28,29)
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210295
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-23-20(14-19)16-24-25(27-28-26(23)24)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210275
PNG
(CHEMBL426009 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5S/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-25(35-20-23)8-5-11-30-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210281
PNG
((4-methylpiperazin-1-yl)(3-(5-(3-phenoxyprop-1-yny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-13-33(14-12-32)29(34)20-9-10-25-21(16-20)18-26-27(30-31-28(25)26)22-17-24(36-19-22)8-5-15-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,30,31)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210297
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-20-16-24-25(27-28-26(24)23(20)14-19)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210315
PNG
(3-(5-(3-(3,4-dimethylphenoxy)prop-1-ynyl)thiophen-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(C)c(C)c3)c2)CC1
Show InChI InChI=1S/C31H32N4OS/c1-21-6-8-26(15-22(21)2)36-14-4-5-27-17-25(20-37-27)30-29-18-24-16-23(7-9-28(24)31(29)33-32-30)19-35-12-10-34(3)11-13-35/h6-9,15-17,20H,10-14,18-19H2,1-3H3,(H,32,33)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210315
PNG
(3-(5-(3-(3,4-dimethylphenoxy)prop-1-ynyl)thiophen-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(C)c(C)c3)c2)CC1
Show InChI InChI=1S/C31H32N4OS/c1-21-6-8-26(15-22(21)2)36-14-4-5-27-17-25(20-37-27)30-29-18-24-16-23(7-9-28(24)31(29)33-32-30)19-35-12-10-34(3)11-13-35/h6-9,15-17,20H,10-14,18-19H2,1-3H3,(H,32,33)
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n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210302
PNG
(3-(5-(3-(3-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccc(Cl)c3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-9-11-34(12-10-33)18-20-7-8-26-21(14-20)16-27-28(31-32-29(26)27)22-15-25(36-19-22)6-3-13-35-24-5-2-4-23(30)17-24/h2,4-5,7-8,14-15,17,19H,9-13,16,18H2,1H3,(H,31,32)
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n/an/a 36n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210275
PNG
(CHEMBL426009 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5S/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-25(35-20-23)8-5-11-30-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 36n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210270
PNG
(CHEMBL224968 | phenyl 3-(4-(6-((4-Methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5O2S/c1-34-12-14-35(15-13-34)19-21-9-10-26-22(16-21)18-27-28(32-33-29(26)27)23-17-25(38-20-23)8-5-11-31-30(36)37-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210269
PNG
(4-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihyd...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-2-3-11-29/h5-6,12-13,16,29H,3,7-11,14-15H2,1H3,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210310
PNG
(6-(2-methoxyethoxy)-3-(5-(3-phenoxyprop-1-ynyl)thi...)
Show SMILES COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C26H22N2O3S/c1-29-12-13-31-21-9-10-23-18(14-21)16-24-25(27-28-26(23)24)19-15-22(32-17-19)8-5-11-30-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-15,17H,11-13,16H2,1H3,(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210292
PNG
(7-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4csc(c4)C#CCOc4ccccc4)-c3c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-22-18-27-28(30-31-29(27)26(22)16-21)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210304
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-(pyridi...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccnc3)c2)CC1
Show InChI InChI=1S/C28H27N5OS/c1-32-9-11-33(12-10-32)18-20-6-7-25-21(14-20)16-26-27(30-31-28(25)26)22-15-24(35-19-22)5-3-13-34-23-4-2-8-29-17-23/h2,4,6-8,14-15,17,19H,9-13,16,18H2,1H3,(H,30,31)
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210281
PNG
((4-methylpiperazin-1-yl)(3-(5-(3-phenoxyprop-1-yny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-13-33(14-12-32)29(34)20-9-10-25-21(16-20)18-26-27(30-31-28(25)26)22-17-24(36-19-22)8-5-15-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,30,31)
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210298
PNG
(CHEMBL376779 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNS(=O)(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5O2S2/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-24(37-20-23)6-5-11-30-38(35,36)25-7-3-2-4-8-25/h2-4,7-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210303
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-9-16(12-28-15-24-14-25-28)4-5-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210282
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenylb...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4S/c1-33-13-15-34(16-14-33)20-23-11-12-27-24(17-23)19-28-29(31-32-30(27)28)25-18-26(35-21-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-12,17-18,21H,5,9,13-16,19-20H2,1H3,(H,31,32)
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n/an/a 48n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50188757
PNG
(1-((5-(7-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccc(CNC(=O)Nc5cccc(C)c5)s4)-c3c2)CC1
Show InChI InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-8-9-26(37-23)28-25-16-21-7-6-20(15-24(21)27(25)32-33-28)18-35-12-10-34(2)11-13-35/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,32,33)(H2,30,31,36)
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n/an/a 48n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210301
PNG
(6-((1H-pyrazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cccn3)ccc-21
Show InChI InChI=1S/C27H20N4OS/c1-2-6-22(7-3-1)32-13-4-8-23-15-21(18-33-23)26-25-16-20-14-19(17-31-12-5-11-28-31)9-10-24(20)27(25)30-29-26/h1-3,5-7,9-12,14-15,18H,13,16-17H2,(H,29,30)
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n/an/a 49n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210276
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(4-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3cc(cs3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-25-23(16-21)18-26-28(25)30-31-29(26)27-17-22(20-35-27)6-5-15-34-24-7-3-2-4-8-24/h2-4,7-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210270
PNG
(CHEMBL224968 | phenyl 3-(4-(6-((4-Methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5O2S/c1-34-12-14-35(15-13-34)19-21-9-10-26-22(16-21)18-27-28(32-33-29(26)27)23-17-25(38-20-23)8-5-11-31-30(36)37-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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n/an/a 51n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210283
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C30H34N6OS/c1-20-5-4-6-23(15-20)31-30(37)35(3)19-24-9-10-27(38-24)29-26-17-22-8-7-21(16-25(22)28(26)32-33-29)18-36-13-11-34(2)12-14-36/h4-10,15-16H,11-14,17-19H2,1-3H3,(H,31,37)(H,32,33)
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n/an/a 51n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210295
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-23-20(14-19)16-24-25(27-28-26(23)24)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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n/an/a 53n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210304
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-(pyridi...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccnc3)c2)CC1
Show InChI InChI=1S/C28H27N5OS/c1-32-9-11-33(12-10-32)18-20-6-7-25-21(14-20)16-26-27(30-31-28(25)26)22-15-24(35-19-22)5-3-13-34-23-4-2-8-29-17-23/h2,4,6-8,14-15,17,19H,9-13,16,18H2,1H3,(H,30,31)
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n/an/a 54n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210299
PNG
(6-(2-(4-methylpiperazin-1-yl)ethyl)-3-(5-(3-phenox...)
Show SMILES CN1CCN(CCc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-13-15-34(16-14-33)12-11-22-9-10-27-23(18-22)20-28-29(31-32-30(27)28)24-19-26(36-21-24)8-5-17-35-25-6-3-2-4-7-25/h2-4,6-7,9-10,18-19,21H,11-17,20H2,1H3,(H,31,32)
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n/an/a 58n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 58n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFR by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50188739
PNG
(1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(C)c4)s3)c2)CC1
Show InChI InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-7-9-26(37-23)28-25-16-21-15-20(6-8-24(21)27(25)32-33-28)18-35-12-10-34(2)11-13-35/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,32,33)(H2,30,31,36)
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n/an/a 61n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210297
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-20-16-24-25(27-28-26(24)23(20)14-19)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210289
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-10-4-7-22-12-20(15-33-22)25-24-13-19-11-18(14-31-17-27-16-28-31)8-9-23(19)26(24)30-29-25/h1-3,5-6,8-9,11-12,15-17H,10,13-14H2,(H,29,30)
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210283
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C30H34N6OS/c1-20-5-4-6-23(15-20)31-30(37)35(3)19-24-9-10-27(38-24)29-26-17-22-8-7-21(16-25(22)28(26)32-33-29)18-36-13-11-34(2)12-14-36/h4-10,15-16H,11-14,17-19H2,1-3H3,(H,31,37)(H,32,33)
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n/an/a 64n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210280
PNG
(6-((4-methylpiperidin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CC1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-21-11-13-33(14-12-21)19-22-9-10-27-23(16-22)18-28-29(31-32-30(27)28)24-17-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,16-17,20-21H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 69n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210314
PNG
(6-((1-methylpiperidin-4-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCC(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-33-13-11-21(12-14-33)16-22-9-10-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,17-18,20-21H,11-16,19H2,1H3,(H,31,32)
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n/an/a 71n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210274
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(pent-1-yn...)
Show SMILES CCCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C25H28N4S/c1-3-4-5-6-21-14-20(17-30-21)24-23-15-19-13-18(7-8-22(19)25(23)27-26-24)16-29-11-9-28(2)10-12-29/h7-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,26,27)
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n/an/a 75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210278
PNG
(3-(5-(3-(4-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-4-9-26-21(15-20)17-27-28(31-32-29(26)27)22-16-25(36-19-22)3-2-14-35-24-7-5-23(30)6-8-24/h4-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 78n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210280
PNG
(6-((4-methylpiperidin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CC1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-21-11-13-33(14-12-21)19-22-9-10-27-23(16-22)18-28-29(31-32-30(27)28)24-17-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,16-17,20-21H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210313
PNG
(4-(4-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(CN4CCOCC4)cc3)c2)CC1
Show InChI InChI=1S/C34H37N5O2S/c1-37-10-12-38(13-11-37)23-26-6-9-31-27(19-26)21-32-33(35-36-34(31)32)28-20-30(42-24-28)3-2-16-41-29-7-4-25(5-8-29)22-39-14-17-40-18-15-39/h4-9,19-20,24H,10-18,21-23H2,1H3,(H,35,36)
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n/an/a 84n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 84n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFR by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210312
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-12-14-34(15-13-33)20-22-10-11-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(36-21-24)9-5-6-16-35-25-7-3-2-4-8-25/h2-4,7-8,10-11,17-18,21H,6,12-16,19-20H2,1H3,(H,31,32)
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n/an/a 85n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210310
PNG
(6-(2-methoxyethoxy)-3-(5-(3-phenoxyprop-1-ynyl)thi...)
Show SMILES COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C26H22N2O3S/c1-29-12-13-31-21-9-10-23-18(14-21)16-24-25(27-28-26(23)24)19-15-22(32-17-19)8-5-11-30-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-15,17H,11-13,16H2,1H3,(H,27,28)
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n/an/a 92n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210276
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(4-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3cc(cs3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-25-23(16-21)18-26-28(25)30-31-29(26)27-17-22(20-35-27)6-5-15-34-24-7-3-2-4-8-24/h2-4,7-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210288
PNG
(3-(5-(3-(2-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3Cl)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-8-9-24-21(15-20)17-25-28(31-32-29(24)25)22-16-23(36-19-22)5-4-14-35-27-7-3-2-6-26(27)30/h2-3,6-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 101n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210287
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(3-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3cccc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C31H30N4O/c1-34-14-16-35(17-15-34)22-24-12-13-28-26(20-24)21-29-30(32-33-31(28)29)25-9-5-7-23(19-25)8-6-18-36-27-10-3-2-4-11-27/h2-5,7,9-13,19-20H,14-18,21-22H2,1H3,(H,32,33)
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n/an/a 108n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210298
PNG
(CHEMBL376779 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNS(=O)(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5O2S2/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-24(37-20-23)6-5-11-30-38(35,36)25-7-3-2-4-8-25/h2-4,7-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 109n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210280
PNG
(6-((4-methylpiperidin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CC1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-21-11-13-33(14-12-21)19-22-9-10-27-23(16-22)18-28-29(31-32-30(27)28)24-17-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,16-17,20-21H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 112n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50188757
PNG
(1-((5-(7-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccc(CNC(=O)Nc5cccc(C)c5)s4)-c3c2)CC1
Show InChI InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-8-9-26(37-23)28-25-16-21-7-6-20(15-24(21)27(25)32-33-28)18-35-12-10-34(2)11-13-35/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,32,33)(H2,30,31,36)
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n/an/a 115n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210294
PNG
(6-((1H-1,2,3-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-12-4-7-22-14-20(17-33-22)25-24-15-19-13-18(16-31-11-10-27-30-31)8-9-23(19)26(24)29-28-25/h1-3,5-6,8-11,13-14,17H,12,15-16H2,(H,28,29)
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n/an/a 124n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50188739
PNG
(1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(C)c4)s3)c2)CC1
Show InChI InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-7-9-26(37-23)28-25-16-21-15-20(6-8-24(21)27(25)32-33-28)18-35-12-10-34(2)11-13-35/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,32,33)(H2,30,31,36)
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n/an/a 146n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210290
PNG
(1-methyl-1-((5-(6-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C30H34N6OS/c1-20-5-4-6-23(15-20)31-30(37)35(3)19-24-8-10-27(38-24)29-26-17-22-16-21(7-9-25(22)28(26)32-33-29)18-36-13-11-34(2)12-14-36/h4-10,15-16H,11-14,17-19H2,1-3H3,(H,31,37)(H,32,33)
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n/an/a 146n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210294
PNG
(6-((1H-1,2,3-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-12-4-7-22-14-20(17-33-22)25-24-15-19-13-18(16-31-11-10-27-30-31)8-9-23(19)26(24)29-28-25/h1-3,5-6,8-11,13-14,17H,12,15-16H2,(H,28,29)
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n/an/a 148n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210290
PNG
(1-methyl-1-((5-(6-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C30H34N6OS/c1-20-5-4-6-23(15-20)31-30(37)35(3)19-24-8-10-27(38-24)29-26-17-22-16-21(7-9-25(22)28(26)32-33-29)18-36-13-11-34(2)12-14-36/h4-10,15-16H,11-14,17-19H2,1-3H3,(H,31,37)(H,32,33)
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n/an/a 159n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR kinase by HTRF assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210288
PNG
(3-(5-(3-(2-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3Cl)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-8-9-24-21(15-20)17-25-28(31-32-29(24)25)22-16-23(36-19-22)5-4-14-35-27-7-3-2-6-26(27)30/h2-3,6-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 178n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210302
PNG
(3-(5-(3-(3-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccc(Cl)c3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-9-11-34(12-10-33)18-20-7-8-26-21(14-20)16-27-28(31-32-29(26)27)22-15-25(36-19-22)6-3-13-35-24-5-2-4-23(30)17-24/h2,4-5,7-8,14-15,17,19H,9-13,16,18H2,1H3,(H,31,32)
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n/an/a 178n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210311
PNG
(6-((1H-imidazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnc3)ccc-21
Show InChI InChI=1S/C27H20N4OS/c1-2-5-22(6-3-1)32-12-4-7-23-14-21(17-33-23)26-25-15-20-13-19(16-31-11-10-28-18-31)8-9-24(20)27(25)30-29-26/h1-3,5-6,8-11,13-14,17-18H,12,15-16H2,(H,29,30)
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n/an/a 195n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210292
PNG
(7-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4csc(c4)C#CCOc4ccccc4)-c3c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-22-18-27-28(30-31-29(27)26(22)16-21)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 197n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210312
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-12-14-34(15-13-33)20-22-10-11-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(36-21-24)9-5-6-16-35-25-7-3-2-4-8-25/h2-4,7-8,10-11,17-18,21H,6,12-16,19-20H2,1H3,(H,31,32)
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n/an/a 313n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210308
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(s3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-13-15-33(16-14-32)20-21-9-11-25-22(18-21)19-26-28(25)30-31-29(26)27-12-10-24(35-27)8-5-17-34-23-6-3-2-4-7-23/h2-4,6-7,9-12,18H,13-17,19-20H2,1H3,(H,30,31)
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n/an/a 316n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210278
PNG
(3-(5-(3-(4-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-4-9-26-21(15-20)17-27-28(31-32-29(26)27)22-16-25(36-19-22)3-2-14-35-24-7-5-23(30)6-8-24/h4-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 419n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210312
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-12-14-34(15-13-33)20-22-10-11-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(36-21-24)9-5-6-16-35-25-7-3-2-4-8-25/h2-4,7-8,10-11,17-18,21H,6,12-16,19-20H2,1H3,(H,31,32)
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210274
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(pent-1-yn...)
Show SMILES CCCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C25H28N4S/c1-3-4-5-6-21-14-20(17-30-21)24-23-15-19-13-18(7-8-22(19)25(23)27-26-24)16-29-11-9-28(2)10-12-29/h7-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,26,27)
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n/an/a 503n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210282
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenylb...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4S/c1-33-13-15-34(16-14-33)20-23-11-12-27-24(17-23)19-28-29(31-32-30(27)28)25-18-26(35-21-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-12,17-18,21H,5,9,13-16,19-20H2,1H3,(H,31,32)
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n/an/a 542n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50188275
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-phenyl-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3[nH]nc4-c3ccccc3)c2)CC1
Show InChI InChI=1S/C22H24N4/c1-25-9-11-26(12-10-25)15-16-7-8-19-18(13-16)14-20-21(23-24-22(19)20)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
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n/an/a 708n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210288
PNG
(3-(5-(3-(2-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3Cl)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-8-9-24-21(15-20)17-25-28(31-32-29(24)25)22-16-23(36-19-22)5-4-14-35-27-7-3-2-6-26(27)30/h2-3,6-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210291
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(4-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(cc3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C31H30N4O/c1-34-15-17-35(18-16-34)22-24-11-14-28-26(20-24)21-29-30(32-33-31(28)29)25-12-9-23(10-13-25)6-5-19-36-27-7-3-2-4-8-27/h2-4,7-14,20H,15-19,21-22H2,1H3,(H,32,33)
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n/an/a 962n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210286
PNG
(3-(5-ethynylthiophen-3-yl)-6-((4-methylpiperazin-1...)
Show SMILES CC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C23H24N4S/c1-3-4-19-12-18(15-28-19)22-21-13-17-11-16(5-6-20(17)23(21)25-24-22)14-27-9-7-26(2)8-10-27/h5-6,11-12,15H,7-10,13-14H2,1-2H3,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210286
PNG
(3-(5-ethynylthiophen-3-yl)-6-((4-methylpiperazin-1...)
Show SMILES CC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C23H24N4S/c1-3-4-19-12-18(15-28-19)22-21-13-17-11-16(5-6-20(17)23(21)25-24-22)14-27-9-7-26(2)8-10-27/h5-6,11-12,15H,7-10,13-14H2,1-2H3,(H,24,25)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210311
PNG
(6-((1H-imidazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnc3)ccc-21
Show InChI InChI=1S/C27H20N4OS/c1-2-5-22(6-3-1)32-12-4-7-23-14-21(17-33-23)26-25-15-20-13-19(16-31-11-10-28-18-31)8-9-24(20)27(25)30-29-26/h1-3,5-6,8-11,13-14,17-18H,12,15-16H2,(H,29,30)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210289
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-10-4-7-22-12-20(15-33-22)25-24-13-19-11-18(14-31-17-27-16-28-31)8-9-23(19)26(24)30-29-25/h1-3,5-6,8-9,11-12,15-17H,10,13-14H2,(H,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210281
PNG
((4-methylpiperazin-1-yl)(3-(5-(3-phenoxyprop-1-yny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-13-33(14-12-32)29(34)20-9-10-25-21(16-20)18-26-27(30-31-28(25)26)22-17-24(36-19-22)8-5-15-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,30,31)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210306
PNG
(6-(4-methylpiperazin-1-yl)-3-(5-(3-phenoxyprop-1-y...)
Show SMILES CN1CCN(CC1)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C28H26N4OS/c1-31-11-13-32(14-12-31)22-9-10-25-20(16-22)18-26-27(29-30-28(25)26)21-17-24(34-19-21)8-5-15-33-23-6-3-2-4-7-23/h2-4,6-7,9-10,16-17,19H,11-15,18H2,1H3,(H,29,30)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210275
PNG
(CHEMBL426009 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5S/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-25(35-20-23)8-5-11-30-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210274
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(pent-1-yn...)
Show SMILES CCCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C25H28N4S/c1-3-4-5-6-21-14-20(17-30-21)24-23-15-19-13-18(7-8-22(19)25(23)27-26-24)16-29-11-9-28(2)10-12-29/h7-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210314
PNG
(6-((1-methylpiperidin-4-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCC(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N3OS/c1-33-13-11-21(12-14-33)16-22-9-10-27-23(17-22)19-28-29(31-32-30(27)28)24-18-26(35-20-24)8-5-15-34-25-6-3-2-4-7-25/h2-4,6-7,9-10,17-18,20-21H,11-16,19H2,1H3,(H,31,32)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210313
PNG
(4-(4-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(CN4CCOCC4)cc3)c2)CC1
Show InChI InChI=1S/C34H37N5O2S/c1-37-10-12-38(13-11-37)23-26-6-9-31-27(19-26)21-32-33(35-36-34(31)32)28-20-30(42-24-28)3-2-16-41-29-7-4-25(5-8-29)22-39-14-17-40-18-15-39/h4-9,19-20,24H,10-18,21-23H2,1H3,(H,35,36)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210317
PNG
(2-methyl-5-(4-(6-((4-methylpiperazin-1-yl)methyl)-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCC(C)(C)O)c2)CC1
Show InChI InChI=1S/C26H30N4OS/c1-26(2,31)8-4-5-21-14-20(17-32-21)24-23-15-19-13-18(6-7-22(19)25(23)28-27-24)16-30-11-9-29(3)10-12-30/h6-7,13-14,17,31H,8-12,15-16H2,1-3H3,(H,27,28)
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n/an/a 2.37E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210315
PNG
(3-(5-(3-(3,4-dimethylphenoxy)prop-1-ynyl)thiophen-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(C)c(C)c3)c2)CC1
Show InChI InChI=1S/C31H32N4OS/c1-21-6-8-26(15-22(21)2)36-14-4-5-27-17-25(20-37-27)30-29-18-24-16-23(7-9-28(24)31(29)33-32-30)19-35-12-10-34(3)11-13-35/h6-9,15-17,20H,10-14,18-19H2,1-3H3,(H,32,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210313
PNG
(4-(4-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(CN4CCOCC4)cc3)c2)CC1
Show InChI InChI=1S/C34H37N5O2S/c1-37-10-12-38(13-11-37)23-26-6-9-31-27(19-26)21-32-33(35-36-34(31)32)28-20-30(42-24-28)3-2-16-41-29-7-4-25(5-8-29)22-39-14-17-40-18-15-39/h4-9,19-20,24H,10-18,21-23H2,1H3,(H,35,36)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210302
PNG
(3-(5-(3-(3-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccc(Cl)c3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-9-11-34(12-10-33)18-20-7-8-26-21(14-20)16-27-28(31-32-29(26)27)22-15-25(36-19-22)6-3-13-35-24-5-2-4-23(30)17-24/h2,4-5,7-8,14-15,17,19H,9-13,16,18H2,1H3,(H,31,32)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210270
PNG
(CHEMBL224968 | phenyl 3-(4-(6-((4-Methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5O2S/c1-34-12-14-35(15-13-34)19-21-9-10-26-22(16-21)18-27-28(32-33-29(26)27)23-17-25(38-20-23)8-5-11-31-30(36)37-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210304
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-(pyridi...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccnc3)c2)CC1
Show InChI InChI=1S/C28H27N5OS/c1-32-9-11-33(12-10-32)18-20-6-7-25-21(14-20)16-26-27(30-31-28(25)26)22-15-24(35-19-22)5-3-13-34-23-4-2-8-29-17-23/h2,4,6-8,14-15,17,19H,9-13,16,18H2,1H3,(H,30,31)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210278
PNG
(3-(5-(3-(4-chlorophenoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C29H27ClN4OS/c1-33-10-12-34(13-11-33)18-20-4-9-26-21(15-20)17-27-28(31-32-29(26)27)22-16-25(36-19-22)3-2-14-35-24-7-5-23(30)6-8-24/h4-9,15-16,19H,10-14,17-18H2,1H3,(H,31,32)
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n/an/a 3.59E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
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))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210307
PNG
(3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-dihy...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccccc-21
Show InChI InChI=1S/C23H16N2OS/c1-2-8-18(9-3-1)26-12-6-10-19-13-17(15-27-19)22-21-14-16-7-4-5-11-20(16)23(21)25-24-22/h1-5,7-9,11,13,15H,12,14H2,(H,24,25)
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n/an/a 4.68E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210282
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(4-phenylb...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4S/c1-33-13-15-34(16-14-33)20-23-11-12-27-24(17-23)19-28-29(31-32-30(27)28)25-18-26(35-21-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-12,17-18,21H,5,9,13-16,19-20H2,1H3,(H,31,32)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210298
PNG
(CHEMBL376779 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNS(=O)(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C29H29N5O2S2/c1-33-12-14-34(15-13-33)19-21-9-10-26-22(16-21)18-27-28(31-32-29(26)27)23-17-24(37-20-23)6-5-11-30-38(35,36)25-7-3-2-4-8-25/h2-4,7-10,16-17,20,30H,11-15,18-19H2,1H3,(H,31,32)
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n/an/a 4.87E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210277
PNG
(3-(5-(3-methoxyprop-1-ynyl)thiophen-3-yl)-6-((4-me...)
Show SMILES COCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-3-11-29-2/h5-6,12-13,16H,7-11,14-15H2,1-2H3,(H,25,26)
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n/an/a 5.19E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210296
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc2-c3ccc(CN4CCN(C)CC4)cc3C(=O)c12
Show InChI InChI=1S/C26H28N4O3S/c1-29-7-9-30(10-8-29)16-18-5-6-21-22(14-18)26(31)23-24(27-28-25(21)23)19-15-20(34-17-19)4-3-11-33-13-12-32-2/h5-6,14-15,17H,7-13,16H2,1-2H3,(H,27,28)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210293
PNG
(4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES NC(=O)N1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H27N5O2S/c30-29(35)34-12-10-33(11-13-34)18-20-8-9-25-21(15-20)17-26-27(31-32-28(25)26)22-16-24(37-19-22)7-4-14-36-23-5-2-1-3-6-23/h1-3,5-6,8-9,15-16,19H,10-14,17-18H2,(H2,30,35)(H,31,32)
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n/an/a 5.36E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210299
PNG
(6-(2-(4-methylpiperazin-1-yl)ethyl)-3-(5-(3-phenox...)
Show SMILES CN1CCN(CCc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N4OS/c1-33-13-15-34(16-14-33)12-11-22-9-10-27-23(18-22)20-28-29(31-32-30(27)28)24-19-26(36-21-24)8-5-17-35-25-6-3-2-4-7-25/h2-4,6-7,9-10,18-19,21H,11-17,20H2,1H3,(H,31,32)
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n/an/a 5.87E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210300
PNG
(CHEMBL225311 | N-(3-(4-(6-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C30H29N5OS/c1-34-12-14-35(15-13-34)19-21-9-10-26-23(16-21)18-27-28(32-33-29(26)27)24-17-25(37-20-24)8-5-11-31-30(36)22-6-3-2-4-7-22/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,31,36)(H,32,33)
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n/an/a 7.46E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210305
PNG
(1-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Nc3ccccc3)c2)CC1
Show InChI InChI=1S/C30H30N6OS/c1-35-12-14-36(15-13-35)19-21-9-10-26-22(16-21)18-27-28(33-34-29(26)27)23-17-25(38-20-23)8-5-11-31-30(37)32-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,33,34)(H2,31,32,37)
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n/an/a 7.91E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210279
PNG
(2-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOCC(N)=O)c2)CC1
Show InChI InChI=1S/C25H27N5O2S/c1-29-6-8-30(9-7-29)14-17-4-5-21-18(11-17)13-22-24(27-28-25(21)22)19-12-20(33-16-19)3-2-10-32-15-23(26)31/h4-5,11-12,16H,6-10,13-15H2,1H3,(H2,26,31)(H,27,28)
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n/an/a 7.96E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
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))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210295
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-23-20(14-19)16-24-25(27-28-26(23)24)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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n/an/a 9.19E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210296
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc2-c3ccc(CN4CCN(C)CC4)cc3C(=O)c12
Show InChI InChI=1S/C26H28N4O3S/c1-29-7-9-30(10-8-29)16-18-5-6-21-22(14-18)26(31)23-24(27-28-25(21)23)19-15-20(34-17-19)4-3-11-33-13-12-32-2/h5-6,14-15,17H,7-13,16H2,1-2H3,(H,27,28)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210289
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-10-4-7-22-12-20(15-33-22)25-24-13-19-11-18(14-31-17-27-16-28-31)8-9-23(19)26(24)30-29-25/h1-3,5-6,8-9,11-12,15-17H,10,13-14H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210316
PNG
(3-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCSC3)ccc-21
Show InChI InChI=1S/C27H23N3OS2/c1-2-5-22(6-3-1)31-11-4-7-23-14-21(17-33-23)26-25-15-20-13-19(16-30-10-12-32-18-30)8-9-24(20)27(25)29-28-26/h1-3,5-6,8-9,13-14,17H,10-12,15-16,18H2,(H,28,29)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210309
PNG
(4-methyl-1-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)C(=O)C1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(27(34)18-32)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210285
PNG
(1-methyl-4-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(18-27(32)34)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210279
PNG
(2-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOCC(N)=O)c2)CC1
Show InChI InChI=1S/C25H27N5O2S/c1-29-6-8-30(9-7-29)14-17-4-5-21-18(11-17)13-22-24(27-28-25(21)22)19-12-20(33-16-19)3-2-10-32-15-23(26)31/h4-5,11-12,16H,6-10,13-15H2,1H3,(H2,26,31)(H,27,28)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210297
PNG
(3-(5-(3-(2-methoxyethoxy)prop-1-ynyl)thiophen-3-yl...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21
Show InChI InChI=1S/C26H30N4O2S/c1-29-7-9-30(10-8-29)17-19-5-6-20-16-24-25(27-28-26(24)23(20)14-19)21-15-22(33-18-21)4-3-11-32-13-12-31-2/h5-6,14-15,18H,7-13,16-17H2,1-2H3,(H,27,28)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210310
PNG
(6-(2-methoxyethoxy)-3-(5-(3-phenoxyprop-1-ynyl)thi...)
Show SMILES COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C26H22N2O3S/c1-29-12-13-31-21-9-10-23-18(14-21)16-24-25(27-28-26(23)24)19-15-22(32-17-19)8-5-11-30-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-15,17H,11-13,16H2,1H3,(H,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210301
PNG
(6-((1H-pyrazol-1-yl)methyl)-3-(5-(3-phenoxyprop-1-...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cccn3)ccc-21
Show InChI InChI=1S/C27H20N4OS/c1-2-6-22(7-3-1)32-13-4-8-23-15-21(18-33-23)26-25-16-20-14-19(17-31-12-5-11-28-31)9-10-24(20)27(25)30-29-26/h1-3,5-7,9-12,14-15,18H,13,16-17H2,(H,29,30)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210294
PNG
(6-((1H-1,2,3-triazol-1-yl)methyl)-3-(5-(3-phenoxyp...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnn3)ccc-21
Show InChI InChI=1S/C26H19N5OS/c1-2-5-21(6-3-1)32-12-4-7-22-14-20(17-33-22)25-24-15-19-13-18(16-31-11-10-27-30-31)8-9-23(19)26(24)29-28-25/h1-3,5-6,8-11,13-14,17H,12,15-16H2,(H,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210284
PNG
(CHEMBL374690 | N,N-dimethyl-2-(3-(5-(3-phenoxyprop...)
Show SMILES CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210303
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-9-16(12-28-15-24-14-25-28)4-5-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210307
PNG
(3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-dihy...)
Show SMILES C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccccc-21
Show InChI InChI=1S/C23H16N2OS/c1-2-8-18(9-3-1)26-12-6-10-19-13-17(15-27-19)22-21-14-16-7-4-5-11-20(16)23(21)25-24-22/h1-5,7-9,11,13,15H,12,14H2,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210269
PNG
(4-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihyd...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1
Show InChI InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-2-3-11-29/h5-6,12-13,16,29H,3,7-11,14-15H2,1H3,(H,25,26)
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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 hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 2.73E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Fyn


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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n/an/a 3.04E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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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 Fyn


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens)
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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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 Hck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50210273
PNG
(6-((4-methylpiperazin-1-yl)methyl)-N-phenyl-1,4-di...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c(Nc5ccccc5)[nH]nc-34)c2)CC1
Show InChI InChI=1S/C22H25N5/c1-26-9-11-27(12-10-26)15-16-7-8-19-17(13-16)14-20-21(19)24-25-22(20)23-18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,25)
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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 VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens)
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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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 Hck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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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 Src


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50210272
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show InChI InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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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 Lck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210309
PNG
(4-methyl-1-((3-(5-(3-phenoxyprop-1-ynyl)thiophen-3...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)C(=O)C1
Show InChI InChI=1S/C29H26N4O2S/c1-32-11-12-33(27(34)18-32)17-20-9-10-25-21(14-20)16-26-28(30-31-29(25)26)22-15-24(36-19-22)8-5-13-35-23-6-3-2-4-7-23/h2-4,6-7,9-10,14-15,19H,11-13,16-18H2,1H3,(H,30,31)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50210303
PNG
(6-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-9-16(12-28-15-24-14-25-28)4-5-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%