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Compile Data Set for Download or QSAR

Found 789 hits with Last Name = 'vaisburg' and Initial = 'a'   
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))
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
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
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
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270491
PNG
(US10059668, Example 55)
Show SMILES CN(C(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
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n/an/a 4n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270481
PNG
(US10059668, Example 44)
Show SMILES CONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
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n/an/a 5n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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))
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270453
PNG
(US10059668, Example 16)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O |r|
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n/an/a 6n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270475
PNG
(US10059668, Example 38)
Show SMILES O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1 |r|
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n/an/a 6n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
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n/an/a 7n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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))
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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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 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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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))
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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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 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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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))
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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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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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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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 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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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))
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270488
PNG
(US10059668, Example 52)
Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
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n/an/a 9n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270490
PNG
(US10059668, Example 54)
Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
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n/an/a 9n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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
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 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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270442
PNG
(US10059668, Example 5)
Show SMILES O=C(NOc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
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n/an/a 10n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM270443
PNG
(US10059668, Example 6)
Show SMILES O=C(NOCc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
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n/an/a 10n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent




US Patent US10059668 (2018)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
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))
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 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 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
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