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Compile Data Set for Download or QSAR

Found 731 hits with Last Name = 'rahil' and Initial = 'j'   
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))
BDBM50248054
PNG
(CHEMBL508395 | N-(3-fluoro-4-(2-(4-((methyl(2-(4-m...)
Show SMILES CN(CCN1CCN(C)CC1)Cc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C38H40FN7O3S/c1-42-16-19-44(20-17-42)21-18-43(2)26-27-8-10-28(11-9-27)35-25-32-36(50-35)34(14-15-40-32)49-33-13-12-29(24-31(33)39)41-37(47)46-23-22-45(38(46)48)30-6-4-3-5-7-30/h3-15,24-25H,16-23,26H2,1-2H3,(H,41,47)
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n/an/a 3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248089
PNG
(CHEMBL517469 | N-(4-(2-(1-ethyl-1H-imidazol-4-yl)t...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4F)cc3F)c2s1
Show InChI InChI=1S/C28H22F2N6O3S/c1-2-34-15-21(32-16-34)25-14-20-26(40-25)24(9-10-31-20)39-23-8-7-17(13-19(23)30)33-27(37)36-12-11-35(28(36)38)22-6-4-3-5-18(22)29/h3-10,13-16H,2,11-12H2,1H3,(H,33,37)
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n/an/a 3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 7n/an/an/an/an/an/a



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
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))
BDBM50248510
PNG
(CHEMBL489326 | N-(4-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C28H23F2N3O5/c1-36-24-14-19-21(15-25(24)37-2)31-12-9-22(19)38-23-8-7-18(13-20(23)30)33-27(35)28(10-11-28)26(34)32-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,32,34)(H,33,35)
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n/an/a 7n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248088
PNG
(CHEMBL464211 | N-(4-(2-(1-ethyl-1H-imidazol-4-yl)t...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C28H22F2N6O3S/c1-2-34-15-22(32-16-34)25-14-21-26(40-25)24(9-10-31-21)39-23-8-5-18(13-20(23)30)33-27(37)36-12-11-35(28(36)38)19-6-3-17(29)4-7-19/h3-10,13-16H,2,11-12H2,1H3,(H,33,37)
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n/an/a 7n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
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))
BDBM50247962
PNG
(CHEMBL462232 | N-(3-fluoro-4-(2-(1-methyl-1H-imida...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN6O3S/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)37-22-8-7-17(13-19(22)28)31-26(35)34-12-11-33(27(34)36)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,35)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248053
PNG
(4-(4-(7-(2-fluoro-4-(2-oxo-3-phenylimidazolidine-1...)
Show SMILES CNC(=O)N1CCN(Cc2ccc(cc2)-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(C5=O)c5ccccc5)cc4F)c3s2)CC1
Show InChI InChI=1S/C36H34FN7O4S/c1-38-34(45)42-17-15-41(16-18-42)23-24-7-9-25(10-8-24)32-22-29-33(49-32)31(13-14-39-29)48-30-12-11-26(21-28(30)37)40-35(46)44-20-19-43(36(44)47)27-5-3-2-4-6-27/h2-14,21-22H,15-20,23H2,1H3,(H,38,45)(H,40,46)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus after 10 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5684-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.010
BindingDB Entry DOI: 10.7270/Q2NZ87QH
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))
BDBM50248048
PNG
(CHEMBL449757 | N-(3-fluoro-4-(2-(1-(3-(pyrrolidin-...)
Show SMILES Fc1cc(NC(=O)N2CCN(C2=O)c2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cn(CCCN2CCCC2)cn1
Show InChI InChI=1S/C33H32FN7O3S/c34-25-19-23(37-32(42)41-18-17-40(33(41)43)24-7-2-1-3-8-24)9-10-28(25)44-29-11-12-35-26-20-30(45-31(26)29)27-21-39(22-36-27)16-6-15-38-13-4-5-14-38/h1-3,7-12,19-22H,4-6,13-18H2,(H,37,42)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
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))
BDBM24496
PNG
(3-(3-fluoro-4-{[2-(pyrrolidin-1-ylcarbonyl)thieno[...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1
Show InChI InChI=1S/C27H23FN4O3S2/c28-19-15-18(30-27(36)31-24(33)14-17-6-2-1-3-7-17)8-9-21(19)35-22-10-11-29-20-16-23(37-25(20)22)26(34)32-12-4-5-13-32/h1-3,6-11,15-16H,4-5,12-14H2,(H2,30,31,33,36)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
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))
BDBM50248558
PNG
(CHEMBL465131 | N-(3-fluoro-4-(2-(1-methyl-1H-imida...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H22FN5O3S/c1-34-15-21(31-16-34)24-14-20-25(38-24)23(9-12-30-20)37-22-8-7-18(13-19(22)29)33-27(36)28(10-11-28)26(35)32-17-5-3-2-4-6-17/h2-9,12-16H,10-11H2,1H3,(H,32,35)(H,33,36)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255853
PNG
(4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 2


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255096
PNG
(4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255852
PNG
(4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1
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MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus after 10 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5684-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.010
BindingDB Entry DOI: 10.7270/Q2NZ87QH
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))
BDBM24500
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thien...)
Show SMILES Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C26H20FN5O2S2/c1-32-12-11-29-25(32)22-15-19-24(36-22)21(9-10-28-19)34-20-8-7-17(14-18(20)27)30-26(35)31-23(33)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H2,30,31,33,35)
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MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM50248557
PNG
(CHEMBL465130 | N1-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES CN(C(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1)c1ccccc1
Show InChI InChI=1S/C27H22FN5O3S/c1-32-15-21(30-16-32)24-13-20-27(37-24)23(10-11-29-20)36-22-9-8-17(12-19(22)28)31-25(34)14-26(35)33(2)18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,31,34)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM24498
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
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MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM50248051
PNG
(CHEMBL448276 | N-(3-fluoro-4-(2-(4-(piperazin-1-yl...)
Show SMILES Fc1cc(NC(=O)N2CCN(C2=O)c2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C34H31FN6O3S/c35-27-20-25(38-33(42)41-19-18-40(34(41)43)26-4-2-1-3-5-26)10-11-29(27)44-30-12-13-37-28-21-31(45-32(28)30)24-8-6-23(7-9-24)22-39-16-14-36-15-17-39/h1-13,20-21,36H,14-19,22H2,(H,38,42)
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n/an/a 11n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM24499
PNG
(3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]py...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H22FN5O2S2/c1-2-33-15-21(30-16-33)24-14-20-26(37-24)23(10-11-29-20)35-22-9-8-18(13-19(22)28)31-27(36)32-25(34)12-17-6-4-3-5-7-17/h3-11,13-16H,2,12H2,1H3,(H2,31,32,34,36)
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MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM50247984
PNG
(CHEMBL453613 | N-(4-(2-(1-ethyl-1H-imidazol-4-yl)t...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H23FN6O3S/c1-2-33-16-22(31-17-33)25-15-21-26(39-25)24(10-11-30-21)38-23-9-8-18(14-20(23)29)32-27(36)35-13-12-34(28(35)37)19-6-4-3-5-7-19/h3-11,14-17H,2,12-13H2,1H3,(H,32,36)
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n/an/a 12n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248052
PNG
(CHEMBL447616 | N-(3-fluoro-4-(2-(4-((4-methylpiper...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(C5=O)c5ccccc5)cc4F)c3s2)CC1
Show InChI InChI=1S/C35H33FN6O3S/c1-39-15-17-40(18-16-39)23-24-7-9-25(10-8-24)32-22-29-33(46-32)31(13-14-37-29)45-30-12-11-26(21-28(30)36)38-34(43)42-20-19-41(35(42)44)27-5-3-2-4-6-27/h2-14,21-22H,15-20,23H2,1H3,(H,38,43)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248091
PNG
(CHEMBL518676 | N-(3-fluoro-4-(2-(1-methyl-1H-imida...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN6O2S2/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)36-22-8-7-17(13-19(22)28)31-26(37)34-12-11-33(27(34)35)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,37)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248046
PNG
(CHEMBL445871 | N-(4-(2-(1-(2-(dimethylamino)ethyl)...)
Show SMILES CN(C)CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C30H28FN7O3S/c1-35(2)12-13-36-18-24(33-19-36)27-17-23-28(42-27)26(10-11-32-23)41-25-9-8-20(16-22(25)31)34-29(39)38-15-14-37(30(38)40)21-6-4-3-5-7-21/h3-11,16-19H,12-15H2,1-2H3,(H,34,39)
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n/an/a 14n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248090
PNG
(CHEMBL462835 | N-(4-(2-(1-ethyl-1H-imidazol-4-yl)t...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4OC)cc3F)c2s1
Show InChI InChI=1S/C29H25FN6O4S/c1-3-34-16-21(32-17-34)26-15-20-27(41-26)25(10-11-31-20)40-23-9-8-18(14-19(23)30)33-28(37)36-13-12-35(29(36)38)22-6-4-5-7-24(22)39-2/h4-11,14-17H,3,12-13H2,1-2H3,(H,33,37)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248556
PNG
(CHEMBL464510 | N1-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C26H20FN5O3S/c1-32-14-20(29-15-32)23-12-19-26(36-23)22(9-10-28-19)35-21-8-7-17(11-18(21)27)31-25(34)13-24(33)30-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,30,33)(H,31,34)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM50248602
PNG
(CHEMBL459478 | N-(3-fluoro-4-(2-(1-isopropyl-1H-im...)
Show SMILES CC(C)n1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C30H26FN5O3S/c1-18(2)35-16-24(33-17-35)27-15-23-28(40-27)26(10-12-32-23)39-25-9-8-19(14-22(25)31)34-29(37)21-11-13-36(30(21)38)20-6-4-3-5-7-20/h3-10,12,14-18,21H,11,13H2,1-2H3,(H,34,37)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248053
PNG
(4-(4-(7-(2-fluoro-4-(2-oxo-3-phenylimidazolidine-1...)
Show SMILES CNC(=O)N1CCN(Cc2ccc(cc2)-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(C5=O)c5ccccc5)cc4F)c3s2)CC1
Show InChI InChI=1S/C36H34FN7O4S/c1-38-34(45)42-17-15-41(16-18-42)23-24-7-9-25(10-8-24)32-22-29-33(49-32)31(13-14-39-29)48-30-12-11-26(21-28(30)37)40-35(46)44-20-19-43(36(44)47)27-5-3-2-4-6-27/h2-14,21-22H,15-20,23H2,1H3,(H,38,45)(H,40,46)
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n/an/a 16n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
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))
BDBM24504
PNG
(3-(3-fluoro-4-{[2-(1,3-thiazol-2-yl)thieno[3,2-b]p...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nccs1
Show InChI InChI=1S/C25H17FN4O2S3/c26-17-13-16(29-25(33)30-22(31)12-15-4-2-1-3-5-15)6-7-19(17)32-20-8-9-27-18-14-21(35-23(18)20)24-28-10-11-34-24/h1-11,13-14H,12H2,(H2,29,30,31,33)
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n/an/a 17n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM24505
PNG
(3-(3-fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyrid...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccccn1
Show InChI InChI=1S/C27H19FN4O2S2/c28-19-15-18(31-27(35)32-25(33)14-17-6-2-1-3-7-17)9-10-22(19)34-23-11-13-30-21-16-24(36-26(21)23)20-8-4-5-12-29-20/h1-13,15-16H,14H2,(H2,31,32,33,35)
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n/an/a 17n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM24493
PNG
(7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...)
Show SMILES CN(C)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C25H21FN4O3S2/c1-30(2)24(32)21-14-18-23(35-21)20(10-11-27-18)33-19-9-8-16(13-17(19)26)28-25(34)29-22(31)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,31,34)
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n/an/a 19n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
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))
BDBM50248047
PNG
(CHEMBL503524 | N-(3-fluoro-4-(2-(1-(2-(pyrrolidin-...)
Show SMILES Fc1cc(NC(=O)N2CCN(C2=O)c2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cn(CCN2CCCC2)cn1
Show InChI InChI=1S/C32H30FN7O3S/c33-24-18-22(36-31(41)40-17-16-39(32(40)42)23-6-2-1-3-7-23)8-9-27(24)43-28-10-11-34-25-19-29(44-30(25)28)26-20-38(21-35-26)15-14-37-12-4-5-13-37/h1-3,6-11,18-21H,4-5,12-17H2,(H,36,41)
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n/an/a 20n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19412
PNG
(CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1
Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30)
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n/an/a 20n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299771
PNG
(CHEMBL574093 | N-(4-(6,7-bis(2-methoxyethoxy)quino...)
Show SMILES COCCOc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2cc1OCCOC
Show InChI InChI=1S/C31H31FN4O7/c1-39-14-16-41-28-19-23-25(20-29(28)42-17-15-40-2)33-11-10-26(23)43-27-9-8-21(18-24(27)32)34-30(37)36-13-12-35(31(36)38)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,34,37)
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n/an/a 20n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of TPR-Met assessed as autophosphorylation


Bioorg Med Chem Lett 19: 6552-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.040
BindingDB Entry DOI: 10.7270/Q2VM4D6R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248048
PNG
(CHEMBL449757 | N-(3-fluoro-4-(2-(1-(3-(pyrrolidin-...)
Show SMILES Fc1cc(NC(=O)N2CCN(C2=O)c2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cn(CCCN2CCCC2)cn1
Show InChI InChI=1S/C33H32FN7O3S/c34-25-19-23(37-32(42)41-18-17-40(33(41)43)24-7-2-1-3-8-24)9-10-28(25)44-29-11-12-35-26-20-30(45-31(26)29)27-21-39(22-36-27)16-6-15-38-13-4-5-14-38/h1-3,7-12,19-22H,4-6,13-18H2,(H,37,42)
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n/an/a 21n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248510
PNG
(CHEMBL489326 | N-(4-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C28H23F2N3O5/c1-36-24-14-19-21(15-25(24)37-2)31-12-9-22(19)38-23-8-7-18(13-20(23)30)33-27(35)28(10-11-28)26(34)32-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,32,34)(H,33,35)
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n/an/a 21n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248510
PNG
(CHEMBL489326 | N-(4-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C28H23F2N3O5/c1-36-24-14-19-21(15-25(24)37-2)31-12-9-22(19)38-23-8-7-18(13-20(23)30)33-27(35)28(10-11-28)26(34)32-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,32,34)(H,33,35)
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n/an/a 21n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met expressed in Sf9 cells


Bioorg Med Chem Lett 19: 6552-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.040
BindingDB Entry DOI: 10.7270/Q2VM4D6R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248089
PNG
(CHEMBL517469 | N-(4-(2-(1-ethyl-1H-imidazol-4-yl)t...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4F)cc3F)c2s1
Show InChI InChI=1S/C28H22F2N6O3S/c1-2-34-15-21(32-16-34)25-14-20-26(40-25)24(9-10-31-20)39-23-8-7-17(13-19(23)30)33-27(37)36-12-11-35(28(36)38)22-6-4-3-5-18(22)29/h3-10,13-16H,2,11-12H2,1H3,(H,33,37)
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n/an/a 21n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248051
PNG
(CHEMBL448276 | N-(3-fluoro-4-(2-(4-(piperazin-1-yl...)
Show SMILES Fc1cc(NC(=O)N2CCN(C2=O)c2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C34H31FN6O3S/c35-27-20-25(38-33(42)41-19-18-40(34(41)43)26-4-2-1-3-5-26)10-11-29(27)44-30-12-13-37-28-21-31(45-32(28)30)24-8-6-23(7-9-24)22-39-16-14-36-15-17-39/h1-13,20-21,36H,14-19,22H2,(H,38,42)
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n/an/a 22n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50247962
PNG
(CHEMBL462232 | N-(3-fluoro-4-(2-(1-methyl-1H-imida...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN6O3S/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)37-22-8-7-17(13-19(22)28)31-26(35)34-12-11-33(27(34)36)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,35)
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n/an/a 23n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50247962
PNG
(CHEMBL462232 | N-(3-fluoro-4-(2-(1-methyl-1H-imida...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN6O3S/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)37-22-8-7-17(13-19(22)28)31-26(35)34-12-11-33(27(34)36)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,35)
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n/an/a 23n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met expressed in Sf9 cells


Bioorg Med Chem Lett 19: 6552-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.040
BindingDB Entry DOI: 10.7270/Q2VM4D6R
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))
BDBM50248056
PNG
((S)-N-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbon...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1 |r|
Show InChI InChI=1S/C30H29FN6O4S/c1-34(2)21-11-13-35(18-21)28(38)26-17-23-27(42-26)25(10-12-32-23)41-24-9-8-19(16-22(24)31)33-29(39)37-15-14-36(30(37)40)20-6-4-3-5-7-20/h3-10,12,16-17,21H,11,13-15,18H2,1-2H3,(H,33,39)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VGFR2 (unknown origin) catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24502
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)thieno...)
Show SMILES Cn1cc(cn1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C26H20FN5O2S2/c1-32-15-17(14-29-32)23-13-20-25(36-23)22(9-10-28-20)34-21-8-7-18(12-19(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
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n/an/a 24n/an/an/an/a7.530



MethylGene Inc.



Assay Description
Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...


Bioorg Med Chem Lett 18: 2793-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.009
BindingDB Entry DOI: 10.7270/Q25X2778
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248050
PNG
(CHEMBL455655 | N-(4-(2-(1-ethyl-1H-imidazol-2-yl)t...)
Show SMILES CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H23FN6O3S/c1-2-33-13-12-31-26(33)24-17-21-25(39-24)23(10-11-30-21)38-22-9-8-18(16-20(22)29)32-27(36)35-15-14-34(28(35)37)19-6-4-3-5-7-19/h3-13,16-17H,2,14-15H2,1H3,(H,32,36)
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n/an/a 24n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant c-Met (unknown origin) catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins...


Bioorg Med Chem Lett 19: 1323-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.068
BindingDB Entry DOI: 10.7270/Q23F4PHJ
More data for this
Ligand-Target Pair
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