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Compile Data Set for Download or QSAR

Found 669 hits with Last Name = 'harris' and Initial = 'cm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
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
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 1


(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 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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207507
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-p-tolylure...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O/c1-13-5-9-15(10-6-13)23-21(27)24-16-11-7-14(8-12-16)17-3-2-4-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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))
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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))
BDBM50207509
PNG
(1-(4-(3-amino-7-methyl-1H-indazol-4-yl)phenyl)-3-m...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C22H21N5O/c1-13-4-3-5-17(12-13)25-22(28)24-16-9-7-15(8-10-16)18-11-6-14(2)20-19(18)21(23)27-26-20/h3-12H,1-2H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207484
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-o-tolylure...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc2[nH]nc(N)c12
Show InChI InChI=1S/C21H19N5O/c1-13-5-2-3-7-17(13)24-21(27)23-15-11-9-14(10-12-15)16-6-4-8-18-19(16)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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 1


(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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207473
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorop...)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)24-20(27)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM50207499
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylure...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21090
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-met...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Show InChI InChI=1S/C21H18N4O2/c1-13-5-9-15(10-6-13)23-21(26)24-16-11-7-14(8-12-16)17-3-2-4-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21093
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-13-6-10-15(11-7-13)24-20(26)23-14-8-4-12(5-9-14)16-2-1-3-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21085
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O3/c1-27-16-5-2-4-15(12-16)24-21(26)23-14-10-8-13(9-11-14)17-6-3-7-18-19(17)20(22)25-28-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM50207474
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluoro-...)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C21H18FN5O/c1-12-11-15(9-10-17(12)22)25-21(28)24-14-7-5-13(6-8-14)16-3-2-4-18-19(16)20(23)27-26-18/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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))
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 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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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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207498
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(thiophen-...)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
Show InChI InChI=1S/C18H15N5OS/c19-17-16-14(2-1-3-15(16)22-23-17)11-4-6-12(7-5-11)20-18(24)21-13-8-9-25-10-13/h1-10H,(H3,19,22,23)(H2,20,21,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50207475
PNG
(1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-3-2-4-15(11-12)25-21(28)24-14-7-5-13(6-8-14)16-9-10-17(22)19-18(16)20(23)27-26-19/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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))
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21086
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nit...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show InChI InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21090
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-met...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Show InChI InChI=1S/C21H18N4O2/c1-13-5-9-15(10-6-13)23-21(26)24-16-11-7-14(8-12-16)17-3-2-4-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21092
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-met...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Show InChI InChI=1S/C21H18N4O3/c1-27-16-11-9-15(10-12-16)24-21(26)23-14-7-5-13(6-8-14)17-3-2-4-18-19(17)20(22)25-28-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM50207475
PNG
(1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-3-2-4-15(11-12)25-21(28)24-14-7-5-13(6-8-14)16-9-10-17(22)19-18(16)20(23)27-26-19/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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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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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21089
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H15ClN4O2/c21-13-3-1-4-15(11-13)24-20(26)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM50207491
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylph...)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C22H21N5O/c1-2-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)27-26-19/h3-13H,2H2,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50209158
PNG
(2-(4-methyl-piperazin-1-yl)-N-{3-[5-(3-phenoxy-pro...)
Show SMILES CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1
Show InChI InChI=1S/C30H29N5O2S/c1-34-12-14-35(15-13-34)19-28(36)31-27-11-5-10-24-25(27)18-26-29(32-33-30(24)26)21-17-23(38-20-21)9-6-16-37-22-7-3-2-4-8-22/h2-5,7-8,10-11,17,20H,12-16,18-19H2,1H3,(H,31,36)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt1 by HTRF assay


Bioorg Med Chem Lett 17: 3136-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.031
BindingDB Entry DOI: 10.7270/Q2VD6Z3Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207474
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluoro-...)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C21H18FN5O/c1-12-11-15(9-10-17(12)22)25-21(28)24-14-7-5-13(6-8-14)16-3-2-4-18-19(16)20(23)27-26-18/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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))
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21080
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-phenyl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H16N4O2/c21-19-18-16(7-4-8-17(18)26-24-19)13-9-11-15(12-10-13)23-20(25)22-14-5-2-1-3-6-14/h1-12H,(H2,21,24)(H2,22,23,25)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21088
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-bro...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
Show InChI InChI=1S/C20H15BrN4O2/c21-13-3-1-4-15(11-13)24-20(26)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21093
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-13-6-10-15(11-7-13)24-20(26)23-14-8-4-12(5-9-14)16-2-1-3-17-18(16)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
BDBM21084
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-2-5-16(12-13)24-21(26)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
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))
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 8n/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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207501
PNG
(CHEMBL387312 | N-[4-(3-amino-1-methyl-1H-indazol-4...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C22H21N5O/c1-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 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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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50207473
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorop...)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)24-20(27)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21101
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21081
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-flu...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
Show InChI InChI=1S/C20H15FN4O2/c21-15-5-1-2-6-16(15)24-20(26)23-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
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