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Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'bernstein' and Initial = 'n'   
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
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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)


Article DOI: 10.1021/jm020154k
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
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)


Article DOI: 10.1021/jm020154k
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))
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
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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
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))
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)


Article DOI: 10.1021/jm020154k
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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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 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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
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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n/an/a 10n/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


(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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n/an/a 10n/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


(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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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))
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))
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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n/an/a 11n/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


(Homo sapiens (Human))
BDBM50303274
PNG
(CHEMBL577742 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4C(F)(F)F)cc3F)c2s1
Show InChI InChI=1S/C28H21F4N5O3S/c1-2-37-14-21(34-15-37)24-12-20-27(41-24)23(9-10-33-20)40-22-8-7-16(11-18(22)29)35-25(38)13-26(39)36-19-6-4-3-5-17(19)28(30,31)32/h3-12,14-15H,2,13H2,1H3,(H,35,38)(H,36,39)
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n/an/a 13n/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))
BDBM50303278
PNG
(CHEMBL566836 | N-(4-(2-(1-ethyl-1H-imidazole-4-car...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4F)cc3F)c2s1
Show InChI InChI=1S/C29H23F2N5O3S/c1-2-36-15-22(33-16-36)25-14-21-26(40-25)24(9-12-32-21)39-23-8-7-17(13-19(23)31)34-27(37)29(10-11-29)28(38)35-20-6-4-3-5-18(20)30/h3-9,12-16H,2,10-11H2,1H3,(H,34,37)(H,35,38)
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n/an/a 15n/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))
BDBM50114826
PNG
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)
Show SMILES COc1ccc(cc1)C(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18)
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n/an/a 15n/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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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


(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


(Homo sapiens (Human))
BDBM50303270
PNG
(CHEMBL566215 | N1-(4-(2-(1-ethyl-1H-imidazole-4-ca...)
Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4F)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)37-22-8-7-16(11-18(22)29)32-25(35)13-26(36)33-19-6-4-3-5-17(19)28/h3-12,14-15H,2,13H2,1H3,(H,32,35)(H,33,36)
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n/an/a 18n/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
Hepatocyte growth factor receptor


(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 19n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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))
BDBM50303268
PNG
(2-(4-(7-(2-fluoro-4-(3-oxo-3-(phenylamino)propanam...)
Show SMILES OC(=O)Cn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C28H20FN5O6S/c29-18-10-17(33-25(36)12-24(35)32-16-4-2-1-3-5-16)6-7-21(18)40-22-8-9-30-19-11-23(41-28(19)22)27(39)20-13-34(15-31-20)14-26(37)38/h1-11,13,15H,12,14H2,(H,32,35)(H,33,36)(H,37,38)
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n/an/a 19n/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))
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
Hepatocyte growth factor receptor


(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 20n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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
Hepatocyte growth factor receptor


(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 23n/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
Hepatocyte growth factor receptor


(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 24n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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
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))
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 24n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50303265
PNG
(CHEMBL566003 | N1-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H20FN5O4S/c1-33-14-20(30-15-33)26(36)23-12-19-27(38-23)22(9-10-29-19)37-21-8-7-17(11-18(21)28)32-25(35)13-24(34)31-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,31,34)(H,32,35)
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n/an/a 25n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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
Hepatocyte growth factor receptor


(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 25n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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))
BDBM50114833
PNG
(8-Naphthalen-2-yl-octanoic acid hydroxyamide | CHE...)
Show SMILES ONC(=O)CCCCCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h6-7,9-10,12-14,21H,1-5,8,11H2,(H,19,20)
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n/an/a 25n/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)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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 25n/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


(Homo sapiens (Human))
BDBM24501
PNG
(3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]py...)
Show SMILES CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H22FN5O2S2/c1-2-33-13-12-30-26(33)23-16-20-25(37-23)22(10-11-29-20)35-21-9-8-18(15-19(21)28)31-27(36)32-24(34)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H2,31,32,34,36)
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n/an/a 25n/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
Hepatocyte growth factor receptor


(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 26n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 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))
BDBM24503
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)...)
Show SMILES Cn1ncnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C25H19FN6O2S2/c1-32-24(28-14-29-32)21-13-18-23(36-21)20(9-10-27-18)34-19-8-7-16(12-17(19)26)30-25(35)31-22(33)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H2,30,31,33,35)
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n/an/a 28n/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
Hepatocyte growth factor receptor


(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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n/an/a 29n/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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373681
PNG
(CHEMBL257631)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3CC3)nc(NC3Cc4ccccc4C3)n2)cc1
Show InChI InChI=1S/C29H30N8O/c30-24-7-3-4-8-25(24)34-26(38)19-11-9-18(10-12-19)17-31-27-35-28(32-22-13-14-22)37-29(36-27)33-23-15-20-5-1-2-6-21(20)16-23/h1-12,22-23H,13-17,30H2,(H,34,38)(H3,31,32,33,35,36,37)
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n/an/a 30n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50303265
PNG
(CHEMBL566003 | N1-(3-fluoro-4-(2-(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H20FN5O4S/c1-33-14-20(30-15-33)26(36)23-12-19-27(38-23)22(9-10-29-19)37-21-8-7-17(11-18(21)28)32-25(35)13-24(34)31-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,31,34)(H,32,35)
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n/an/a 30n/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
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