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Compile Data Set for Download or QSAR

Found 339 hits with Last Name = 'hartandi' and Initial = 'k'   
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


(Homo sapiens (Human))
BDBM50372144
PNG
(CHEMBL272938)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(9-12)24-20(27)23-14-7-5-13(6-8-14)16-10-22-11-17-18(16)19(21)26-25-17/h2-11H,1H3,(H3,21,25,26)(H2,23,24,27)
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n/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372144
PNG
(CHEMBL272938)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(9-12)24-20(27)23-14-7-5-13(6-8-14)16-10-22-11-17-18(16)19(21)26-25-17/h2-11H,1H3,(H3,21,25,26)(H2,23,24,27)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372140
PNG
(CHEMBL404669)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-8-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-9-23-10-17-18(15)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372140
PNG
(CHEMBL404669)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-8-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-9-23-10-17-18(15)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372156
PNG
(CHEMBL257479)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(11-12)24-20(27)23-14-7-5-13(6-8-14)16-9-10-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372141
PNG
(CHEMBL256246)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-14-6-3-11(20(22,23)24)7-15(14)28-19(31)27-12-4-1-10(2-5-12)13-8-26-9-16-17(13)18(25)30-29-16/h1-9H,(H3,25,29,30)(H2,27,28,31)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372150
PNG
(CHEMBL255744)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-12-9-13(2)11-16(10-12)25-21(28)24-15-5-3-14(4-6-15)17-7-8-23-20-18(17)19(22)26-27-20/h3-11H,1-2H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372149
PNG
(CHEMBL255743)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(10-11)25-20(28)24-13-5-3-12(4-6-13)14-8-9-23-19-17(14)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144159
PNG
(CHEMBL294800 | N-(1-Methoxy-6-m-tolyl-6H-benzo[c]c...)
Show SMILES COc1cccc2OC(c3cccc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C22H21NO4S/c1-14-6-4-7-15(12-14)22-18-13-16(23-28(3,24)25)10-11-17(18)21-19(26-2)8-5-9-20(21)27-22/h4-13,22-23H,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 70-92 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372142
PNG
(CHEMBL271441)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(8-11)25-20(28)24-13-5-3-12(4-6-13)14-9-23-10-17-18(14)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372154
PNG
(CHEMBL255746)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372150
PNG
(CHEMBL255744)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-12-9-13(2)11-16(10-12)25-21(28)24-15-5-3-14(4-6-15)17-7-8-23-20-18(17)19(22)26-27-20/h3-11H,1-2H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372147
PNG
(CHEMBL273187)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-10-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-8-9-23-19-17(15)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372147
PNG
(CHEMBL273187)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-10-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-8-9-23-19-17(15)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372143
PNG
(CHEMBL404342)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(8-12)24-19(27)23-13-6-4-11(5-7-13)15-9-22-10-16-17(15)18(21)26-25-16/h1-10H,(H3,21,25,26)(H2,23,24,27)
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372141
PNG
(CHEMBL256246)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-14-6-3-11(20(22,23)24)7-15(14)28-19(31)27-12-4-1-10(2-5-12)13-8-26-9-16-17(13)18(25)30-29-16/h1-9H,(H3,25,29,30)(H2,27,28,31)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372154
PNG
(CHEMBL255746)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
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Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372162
PNG
(CHEMBL404366)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H17ClN6O/c1-27-17-11-23-10-16(18(17)19(22)26-27)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)9-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372145
PNG
(CHEMBL256205)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClFN6O/c20-14-9-12(5-6-15(14)21)25-19(28)24-11-3-1-10(2-4-11)13-7-8-23-18-16(13)17(22)26-27-18/h1-9H,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 9-12 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372146
PNG
(CHEMBL403439)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-15-6-5-12(9-14(15)20(22,23)24)28-19(31)27-11-3-1-10(2-4-11)13-7-8-26-18-16(13)17(25)29-30-18/h1-9H,(H2,27,28,31)(H3,25,26,29,30)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase 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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n/an/a 2n/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


(Homo sapiens (Human))
BDBM50372149
PNG
(CHEMBL255743)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(10-11)25-20(28)24-13-5-3-12(4-6-13)14-8-9-23-19-17(14)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372156
PNG
(CHEMBL257479)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(11-12)24-20(27)23-14-7-5-13(6-8-14)16-9-10-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372142
PNG
(CHEMBL271441)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(8-11)25-20(28)24-13-5-3-12(4-6-13)14-9-23-10-17-18(14)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372148
PNG
(CHEMBL403402)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-14-6-3-11(20(22,23)24)9-15(14)28-19(31)27-12-4-1-10(2-5-12)13-7-8-26-18-16(13)17(25)29-30-18/h1-9H,(H2,27,28,31)(H3,25,26,29,30)
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n/an/a 2.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372155
PNG
(CHEMBL255956)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)cc1
Show InChI InChI=1S/C20H18N6O/c1-12-2-6-14(7-3-12)23-20(27)24-15-8-4-13(5-9-15)16-10-11-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144149
PNG
(CHEMBL65354 | N-[6-(3-Fluoro-phenyl)-1-methoxy-6H-...)
Show SMILES COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C21H18FNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase 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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n/an/a 3n/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


(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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n/an/a 3n/an/an/an/an/an/a



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
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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n/an/a 3n/an/an/an/an/an/a



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


(Homo sapiens (Human))
BDBM50372165
PNG
(CHEMBL402846)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H19FN6O/c1-12-3-8-16(22)17(9-12)26-21(29)25-14-6-4-13(5-7-14)15-10-24-11-18-19(15)20(23)27-28(18)2/h3-11H,1-2H3,(H2,23,27)(H2,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from human Progesterone receptor


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(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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n/an/a 3n/an/an/an/an/an/a



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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144164
PNG
(CHEMBL65695 | N-[6-(3-Chloro-phenyl)-1-methoxy-6H-...)
Show SMILES COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C21H18ClNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-3 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144149
PNG
(CHEMBL65354 | N-[6-(3-Fluoro-phenyl)-1-methoxy-6H-...)
Show SMILES COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C21H18FNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144181
PNG
(CHEMBL304877 | N-[6-(3,4-Dichloro-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3ccc(Cl)c(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C21H17Cl2NO4S/c1-27-18-4-3-5-19-20(18)14-8-7-13(24-29(2,25)26)11-15(14)21(28-19)12-6-9-16(22)17(23)10-12/h3-11,21,24H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase 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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n/an/a 3n/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 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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n/an/a 3n/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50372143
PNG
(CHEMBL404342)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(8-12)24-19(27)23-13-6-4-11(5-7-13)15-9-22-10-16-17(15)18(21)26-25-16/h1-10H,(H3,21,25,26)(H2,23,24,27)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
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