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Compile Data Set for Download or QSAR

Found 1094 hits with Last Name = 'besterman' and Initial = 'jm'   
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))		BDBM50303276
PNG
(CHEMBL565807 | N-(4-(2-(1-ethyl-1H-imidazole-4-car...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C29H24FN5O3S/c1-2-35-16-22(32-17-35)25-15-21-26(39-25)24(10-13-31-21)38-23-9-8-19(14-20(23)30)34-28(37)29(11-12-29)27(36)33-18-6-4-3-5-7-18/h3-10,13-17H,2,11-12H2,1H3,(H,33,36)(H,34,37)
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n/an/a 1n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of ERK phosphorylation

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM93149
PNG
(2-oxoimidazolidine-1-carboxamide, 16)
Show SMILES CNC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(C3=O)c3ccc(F)cc3)cc2)ccn1
Show InChI InChI=1S/C23H21FN6O4/c1-25-21(31)28-20-14-19(10-11-26-20)34-18-8-4-16(5-9-18)27-22(32)30-13-12-29(23(30)33)17-6-2-15(24)3-7-17/h2-11,14H,12-13H2,1H3,(H,27,32)(H2,25,26,28,31)
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n/an/a 2n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114813
PNG
(8-(4'-Bromo-biphenyl-4-yl)-8-oxo-octanoic acid hyd...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H22BrNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,25H,1-6H2,(H,22,24)
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n/an/a 2n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM93147
PNG
(2-oxoimidazolidine-1-carboxamide, 14)
Show SMILES CC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(C3=O)c3ccc(F)cc3)cc2)ccn1
Show InChI InChI=1S/C23H20FN5O4/c1-15(30)26-21-14-20(10-11-25-21)33-19-8-4-17(5-9-19)27-22(31)29-13-12-28(23(29)32)18-6-2-16(24)3-7-18/h2-11,14H,12-13H2,1H3,(H,27,31)(H,25,26,30)
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n/an/a 3n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50303276
PNG
(CHEMBL565807 | N-(4-(2-(1-ethyl-1H-imidazole-4-car...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C29H24FN5O3S/c1-2-35-16-22(32-17-35)25-15-21-26(39-25)24(10-13-31-21)38-23-9-8-19(14-20(23)30)34-28(37)29(11-12-29)27(36)33-18-6-4-3-5-7-18/h3-10,13-17H,2,11-12H2,1H3,(H,33,36)(H,34,37)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPR-met autophosphorylation expressed in HEK293T cells after 150 mins by ELISA

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303262
PNG
(CHEMBL566010 | N1-(3-fluoro-4-(2-(pyrrolidine-1-ca...)
Show SMILES Fc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1
Show InChI InChI=1S/C27H23FN4O4S/c28-19-14-18(31-25(34)16-24(33)30-17-6-2-1-3-7-17)8-9-21(19)36-22-10-11-29-20-15-23(37-26(20)22)27(35)32-12-4-5-13-32/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,30,33)(H,31,34)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM93150
PNG
(2-oxoimidazolidine-1-carboxamide, 17)
Show SMILES Fc1ccc(cc1)N1CCN(C(=O)Nc2ccc(Oc3ccnc(NC(=O)NCCN4CCCC4)c3)cc2)C1=O
Show InChI InChI=1S/C28H30FN7O4/c29-20-3-7-22(8-4-20)35-17-18-36(28(35)39)27(38)32-21-5-9-23(10-6-21)40-24-11-12-30-25(19-24)33-26(37)31-13-16-34-14-1-2-15-34/h3-12,19H,1-2,13-18H2,(H,32,38)(H2,30,31,33,37)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114835
PNG
((E)-8-(biphenyl-4-yl)-N-hydroxy-8-(hydroxyimino)oc...)
Show SMILES ONC(=O)CCCCCCC(N=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-20(22-25)11-7-2-1-6-10-19(21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,19,25H,1-2,6-7,10-11H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM93145
PNG
(2-oxoimidazolidine-1-carboxamide, 5)
Show SMILES CC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(C3=O)c3ccccc3)cc2)ccn1
Show InChI InChI=1S/C23H21N5O4/c1-16(29)25-21-15-20(11-12-24-21)32-19-9-7-17(8-10-19)26-22(30)28-14-13-27(23(28)31)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,26,30)(H,24,25,29)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114811
PNG
(8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(H,25,29)
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n/an/a 4.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303266
PNG
(CHEMBL565990 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H22FN5O4S/c1-2-34-15-21(31-16-34)27(37)24-13-20-28(39-24)23(10-11-30-20)38-22-9-8-18(12-19(22)29)33-26(36)14-25(35)32-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H,32,35)(H,33,36)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303272
PNG
(CHEMBL567475 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C27H21F2N5O3S/c1-2-34-14-21(31-15-34)24-12-20-27(38-24)23(9-10-30-20)37-22-8-7-18(11-19(22)29)33-26(36)13-25(35)32-17-5-3-16(28)4-6-17/h3-12,14-15H,2,13H2,1H3,(H,32,35)(H,33,36)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM93148
PNG
(2-oxoimidazolidine-1-carboxamide, 15)
Show SMILES CNC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(C3=O)c3ccccc3)cc2)ccn1
Show InChI InChI=1S/C23H22N6O4/c1-24-21(30)27-20-15-19(11-12-25-20)33-18-9-7-16(8-10-18)26-22(31)29-14-13-28(23(29)32)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,31)(H2,24,25,27,30)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114814
PNG
(8-Naphthalen-2-yl-8-oxo-octanoic acid hydroxyamide...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22H,1-4,9-10H2,(H,19,21)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114816
PNG
(8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide | 8-Bi...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,1-2,6-7,10-11H2,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303267
PNG
(CHEMBL576504 | N1-(4-(2-(1-(2-(dimethylamino)ethyl...)
Show SMILES CN(C)CCn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C30H27FN6O4S/c1-36(2)12-13-37-17-23(33-18-37)29(40)26-15-22-30(42-26)25(10-11-32-22)41-24-9-8-20(14-21(24)31)35-28(39)16-27(38)34-19-6-4-3-5-7-19/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114829
PNG
((E)-8-Naphthalen-2-yl-oct-7-enoic acid hydroxyamid...)
Show SMILES ONC(=O)CCCCC\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h4,6-10,12-14,21H,1-3,5,11H2,(H,19,20)/b8-4+
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303277
PNG
(CHEMBL565782 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)N(C)c4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H24FN5O3S/c1-3-34-16-22(31-17-34)25-14-21-28(38-25)24(11-12-30-21)37-23-10-9-18(13-20(23)29)32-26(35)15-27(36)33(2)19-7-5-4-6-8-19/h4-14,16-17H,3,15H2,1-2H3,(H,32,35)
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303273
PNG
(CHEMBL566844 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4OC)cc3F)c2s1
Show InChI InChI=1S/C28H24FN5O4S/c1-3-34-15-21(31-16-34)25-13-20-28(39-25)24(10-11-30-20)38-22-9-8-17(12-18(22)29)32-26(35)14-27(36)33-19-6-4-5-7-23(19)37-2/h4-13,15-16H,3,14H2,1-2H3,(H,32,35)(H,33,36)
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
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


(Homo sapiens (Human))		BDBM50303275
PNG
(CHEMBL584701 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4O)cc3F)c2s1
Show InChI InChI=1S/C27H22FN5O4S/c1-2-33-14-20(30-15-33)24-12-19-27(38-24)23(9-10-29-19)37-22-8-7-16(11-17(22)28)31-25(35)13-26(36)32-18-5-3-4-6-21(18)34/h3-12,14-15,34H,2,13H2,1H3,(H,31,35)(H,32,36)
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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 VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
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


(Homo sapiens (Human))		BDBM50303276
PNG
(CHEMBL565807 | N-(4-(2-(1-ethyl-1H-imidazole-4-car...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C29H24FN5O3S/c1-2-35-16-22(32-17-35)25-15-21-26(39-25)24(10-13-31-21)38-23-9-8-19(14-20(23)30)34-28(37)29(11-12-29)27(36)33-18-6-4-3-5-7-18/h3-10,13-17H,2,11-12H2,1H3,(H,33,36)(H,34,37)
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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 VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
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
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114823
PNG
(8-Naphthalen-2-yl-non-8-enoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCC(=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-15(8-4-2-3-5-11-19(21)20-22)17-13-12-16-9-6-7-10-18(16)14-17/h6-7,9-10,12-14,22H,1-5,8,11H2,(H,20,21)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114828
PNG
((E)-N-hydroxy-8-(hydroxyimino)-8-(naphthalen-2-yl)...)
Show SMILES ONC(=O)CCCCCCC(N=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,23H,1-4,9-10H2,(H,20,21)
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n/an/a 8.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
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
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
Vascular endothelial growth factor receptor 2


(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
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50114821
PNG
(8-Oxo-8-(4-piperidin-1-yl-phenyl)-octanoic acid hy...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H28N2O3/c22-18(8-4-1-2-5-9-19(23)20-24)16-10-12-17(13-11-16)21-14-6-3-7-15-21/h10-13,24H,1-9,14-15H2,(H,20,23)
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n/an/a 9.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)

J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
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 10n/an/an/an/an/an/a



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
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50299777
PNG
(CHEMBL573761 | N-(4-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2cc1OC
Show InChI InChI=1S/C27H23FN4O5/c1-35-24-15-19-21(16-25(24)36-2)29-11-10-22(19)37-23-9-8-17(14-20(23)28)30-26(33)32-13-12-31(27(32)34)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,30,33)
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50306503
PNG
(4,4,4-trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2s1
Show InChI InChI=1S/C27H21F4N5O2S/c1-36-14-20(33-15-36)23-12-19-26(39-23)22(9-10-32-19)38-21-8-7-17(11-18(21)28)34-24(27(29,30)31)13-25(37)35-16-5-3-2-4-6-16/h2-12,14-15,24,34H,13H2,1H3,(H,35,37)
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2

Bioorg Med Chem Lett 20: 2745-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.073
BindingDB Entry DOI: 10.7270/Q24T6JJ6
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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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))		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
Vascular endothelial growth factor receptor 2


(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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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9 cells by DELFIA

Bioorg Med Chem Lett 20: 848-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.099
BindingDB Entry DOI: 10.7270/Q2XW4JWR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50306503
PNG
(4,4,4-trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2s1
Show InChI InChI=1S/C27H21F4N5O2S/c1-36-14-20(33-15-36)23-12-19-26(39-23)22(9-10-32-19)38-21-8-7-17(11-18(21)28)34-24(27(29,30)31)13-25(37)35-16-5-3-2-4-6-16/h2-12,14-15,24,34H,13H2,1H3,(H,35,37)
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MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9 cells by DELFIA

Bioorg Med Chem Lett 20: 848-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.099
BindingDB Entry DOI: 10.7270/Q2XW4JWR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303269
PNG
(CHEMBL585205 | N1-cyclohexyl-N3-(4-(2-(1-ethyl-1H-...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)NC4CCCCC4)cc3F)c2s1
Show InChI InChI=1S/C27H28FN5O3S/c1-2-33-15-21(30-16-33)24-13-20-27(37-24)23(10-11-29-20)36-22-9-8-18(12-19(22)28)32-26(35)14-25(34)31-17-6-4-3-5-7-17/h8-13,15-17H,2-7,14H2,1H3,(H,31,34)(H,32,35)
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50303271
PNG
(CHEMBL565603 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4cccc(F)c4)cc3F)c2s1
Show InChI InChI=1S/C27H21F2N5O3S/c1-2-34-14-21(31-15-34)24-12-20-27(38-24)23(8-9-30-20)37-22-7-6-18(11-19(22)29)33-26(36)13-25(35)32-17-5-3-4-16(28)10-17/h3-12,14-15H,2,13H2,1H3,(H,32,35)(H,33,36)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay

Bioorg Med Chem Lett 19: 6836-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.095
BindingDB Entry DOI: 10.7270/Q2GM87C1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)

J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
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
Vascular endothelial growth factor receptor 2


(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


(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
Hepatocyte growth factor receptor


(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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MethylGene Inc.



Assay Description
Inhibition assay using kinase inhibitors.

International Journal of Medicinal Chemistry 2012: 1-6 (2012)


BindingDB Entry DOI: 10.7270/Q2X065P9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2

Bioorg Med Chem Lett 20: 2745-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.073
BindingDB Entry DOI: 10.7270/Q24T6JJ6
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50036132
PNG
(15-chloromethyl-8-ethyl-8-hydroxy-(8S)-2,3,8,9,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O
Show InChI InChI=1S/C23H19ClN2O6/c1-2-23(29)15-6-17-20-13(9-26(17)21(27)14(15)10-32-22(23)28)12(8-24)11-5-18-19(7-16(11)25-20)31-4-3-30-18/h5-7,29H,2-4,8-10H2,1H3/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)

J Med Chem 38: 395-401 (1995)


BindingDB Entry DOI: 10.7270/Q2F47N67
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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
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