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PubMed code 16570908

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Flk1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184818
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184822
PNG
(CHEMBL383671 | methyl 4-(4-fluoro-2-methyl-1H-indo...)
Show SMILES COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C18H15FN4O3/c1-9-6-11-13(22-9)4-5-14(15(11)19)26-17-16-10(2)12(18(24)25-3)7-23(16)21-8-20-17/h4-8,22H,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184812
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES CN1CCC(CCOc2cn3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3c2C)CC1
Show InChI InChI=1S/C24H28FN5O2/c1-15-12-18-19(28-15)4-5-20(22(18)25)32-24-23-16(2)21(13-30(23)27-14-26-24)31-11-8-17-6-9-29(3)10-7-17/h4-5,12-14,17,28H,6-11H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184816
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyr...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C16H13FN4O2/c1-8-5-10-11(20-8)3-4-13(14(10)17)23-16-15-9(2)12(22)6-21(15)19-7-18-16/h3-7,20,22H,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184811
PNG
((R)-1-(2-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C22H24FN5O3/c1-13-9-16-17(26-13)3-4-18(20(16)23)31-22-21-14(2)19(11-28(21)25-12-24-22)30-8-7-27-6-5-15(29)10-27/h3-4,9,11-12,15,26,29H,5-8,10H2,1-2H3/t15-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184821
PNG
(CHEMBL206545 | N-(3-(4-(4-fluoro-2-methyl-1H-indol...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H22FN5O4S/c1-12-9-14-15(25-12)5-6-16(18(14)21)30-20-19-13(2)17(10-26(19)23-11-22-20)29-8-4-7-24-31(3,27)28/h5-6,9-11,24-25H,4,7-8H2,1-3H3
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n/an/a 66n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184820
PNG
(CHEMBL205283 | methyl 5-methyl-4-(2-methyl-1H-indo...)
Show SMILES COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C
Show InChI InChI=1S/C18H16N4O3/c1-10-6-12-7-13(4-5-15(12)21-10)25-17-16-11(2)14(18(23)24-3)8-22(16)20-9-19-17/h4-9,21H,1-3H3
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n/an/a 78n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184814
PNG
(CHEMBL207842 | ethyl 4-(1H-indol-5-yloxy)-5-methyl...)
Show SMILES CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1C
Show InChI InChI=1S/C18H16N4O3/c1-3-24-18(23)14-9-22-16(11(14)2)17(20-10-21-22)25-13-4-5-15-12(8-13)6-7-19-15/h4-10,19H,3H2,1-2H3
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n/an/a 87n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Flk1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against FGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184819
PNG
(CHEMBL381104 | methyl 4-(1H-indol-5-yloxy)pyrrolo[...)
Show SMILES COC(=O)c1cc2c(Oc3ccc4[nH]ccc4c3)ncnn2c1
Show InChI InChI=1S/C16H12N4O3/c1-22-16(21)11-7-14-15(18-9-19-20(14)8-11)23-12-2-3-13-10(6-12)4-5-17-13/h2-9,17H,1H3
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n/an/a 210n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184810
PNG
(CHEMBL377302 | ethyl 4-(1H-indol-5-yloxy)-5-ethylp...)
Show SMILES CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1CC
Show InChI InChI=1S/C19H18N4O3/c1-3-14-15(19(24)25-4-2)10-23-17(14)18(21-11-22-23)26-13-5-6-16-12(9-13)7-8-20-16/h5-11,20H,3-4H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
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))
BDBM50184815
PNG
(CHEMBL381973 | ethyl 4-(1H-indol-5-yloxy)-5-isopro...)
Show SMILES CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1C(C)C
Show InChI InChI=1S/C20H20N4O3/c1-4-26-20(25)15-10-24-18(17(15)12(2)3)19(22-11-23-24)27-14-5-6-16-13(9-14)7-8-21-16/h5-12,21H,4H2,1-3H3
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n/an/a 470n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184812
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES CN1CCC(CCOc2cn3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3c2C)CC1
Show InChI InChI=1S/C24H28FN5O2/c1-15-12-18-19(28-15)4-5-20(22(18)25)32-24-23-16(2)21(13-30(23)27-14-26-24)31-11-8-17-6-9-29(3)10-7-17/h4-5,12-14,17,28H,6-11H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184821
PNG
(CHEMBL206545 | N-(3-(4-(4-fluoro-2-methyl-1H-indol...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H22FN5O4S/c1-12-9-14-15(25-12)5-6-16(18(14)21)30-20-19-13(2)17(10-26(19)23-11-22-20)29-8-4-7-24-31(3,27)28/h5-6,9-11,24-25H,4,7-8H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184818
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a>1.90E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against EGFR


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against LCK


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184811
PNG
((R)-1-(2-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C22H24FN5O3/c1-13-9-16-17(26-13)3-4-18(20(16)23)31-22-21-14(2)19(11-28(21)25-12-24-22)30-8-7-27-6-5-15(29)10-27/h3-4,9,11-12,15,26,29H,5-8,10H2,1-2H3/t15-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against PKC alpha


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against JAK3


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%