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Compile Data Set for Download or QSAR

Found 484 hits with Last Name = 'wahhab' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
Cereblon/Histone deacetylase 6


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



MethylGene Inc

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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
Cereblon/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
Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


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


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


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
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 10n/an/an/an/an/an/a



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
Cereblon/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
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
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
Cereblon/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
Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


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


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


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



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


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


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24510
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-pyrrol-2-yl)thieno[...)
Show SMILES Cn1cccc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN4O2S2/c1-32-13-5-8-21(32)24-16-20-26(36-24)23(11-12-29-20)34-22-10-9-18(15-19(22)28)30-27(35)31-25(33)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H2,30,31,33,35)
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n/an/a 31n/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))
BDBM24485
PNG
(3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC
Show InChI InChI=1S/C26H22FN3O4S/c1-32-23-14-18-20(15-24(23)33-2)28-11-10-21(18)34-22-9-8-17(13-19(22)27)29-26(35)30-25(31)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,29,30,31,35)
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n/an/a 32n/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))
BDBM24509
PNG
(3-(3-fluoro-4-{[2-(thiophen-2-yl)thieno[3,2-b]pyri...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccs1
Show InChI InChI=1S/C26H18FN3O2S3/c27-18-14-17(29-26(33)30-24(31)13-16-5-2-1-3-6-16)8-9-20(18)32-21-10-11-28-19-15-23(35-25(19)21)22-7-4-12-34-22/h1-12,14-15H,13H2,(H2,29,30,31,33)
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n/an/a 32n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255809
PNG
(4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1
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n/an/a 40n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255854
PNG
((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O
Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1
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n/an/a 40n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255914
PNG
(4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1
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n/an/a 40n/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
Hepatocyte growth factor receptor


(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 48n/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))
BDBM24510
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-pyrrol-2-yl)thieno[...)
Show SMILES Cn1cccc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C27H21FN4O2S2/c1-32-13-5-8-21(32)24-16-20-26(36-24)23(11-12-29-20)34-22-10-9-18(15-19(22)28)30-27(35)31-25(33)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H2,30,31,33,35)
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n/an/a 49n/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 7


(Homo sapiens (Human))
BDBM50300446
PNG
(CHEMBL583490 | N-hydroxy-9H-xanthene-9-carboxamide)
Show SMILES ONC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C14H11NO3/c16-14(15-17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13,17H,(H,15,16)
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n/an/a 50n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) 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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255910
PNG
(4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...)
Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1
Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1
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n/an/a 50n/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
Hepatocyte growth factor receptor


(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 51n/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))
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 52n/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))
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 54n/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-Arginine Methyltransferase CARM1


(Mus musculus (mouse))
BDBM27642
PNG
(1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-10-15-7-14(11-33-15)29-16(8-18(28-29)21(22,23)24)20(31)26-9-13-5-3-4-6-17(13)32-2/h3-8,11-12H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1
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n/an/a 60n/an/an/an/a9.022



MethylGene Inc



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50277329
PNG
((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...)
Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1
Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1
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n/an/a 60n/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-Arginine Methyltransferase CARM1


(Mus musculus (mouse))
BDBM27641
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-[(...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c1-14(27)21(32)28-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)22(33)29-13-16-7-3-4-9-19(16)34-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-/m0/s1
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n/an/a 60n/an/an/an/a9.022



MethylGene Inc



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24508
PNG
(3-(3-fluoro-4-{[2-(1,3,4-thiadiazol-2-yl)thieno[3,...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nncs1
Show InChI InChI=1S/C24H16FN5O2S3/c25-16-11-15(28-24(33)29-21(31)10-14-4-2-1-3-5-14)6-7-18(16)32-19-8-9-26-17-12-20(35-22(17)19)23-30-27-13-34-23/h1-9,11-13H,10H2,(H2,28,29,31,33)
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n/an/a 60n/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-Arginine Methyltransferase CARM1


(Mus musculus (mouse))
BDBM27641
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-[(...)
Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c1-14(27)21(32)28-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)22(33)29-13-16-7-3-4-9-19(16)34-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged mouse recombinant CARM1 expressed in Sf9 cells by microbeta counting


Bioorg Med Chem Lett 19: 6725-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.110
BindingDB Entry DOI: 10.7270/Q20P104P
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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 62n/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))
BDBM24512
PNG
(3-(3-fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyr...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cncnc1
Show InChI InChI=1S/C26H18FN5O2S2/c27-19-11-18(31-26(35)32-24(33)10-16-4-2-1-3-5-16)6-7-21(19)34-22-8-9-30-20-12-23(36-25(20)22)17-13-28-15-29-14-17/h1-9,11-15H,10H2,(H2,31,32,33,35)
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n/an/a 63n/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))
BDBM50257130
PNG
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc3nc(cs3)-c3ccccc3)c2c1
Show InChI InChI=1S/C27H32N6O5S2/c1-17-20(21-14-19(38-2)11-12-22(21)30-17)15-25(34)31-23(10-6-7-13-29-40(28,36)37)26(35)33-27-32-24(16-39-27)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,16,23,29-30H,6-7,10,13,15H2,1-2H3,(H,31,34)(H2,28,36,37)(H,32,33,35)/t23-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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 65n/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))
BDBM24491
PNG
(7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...)
Show SMILES NC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C23H17FN4O3S2/c24-15-11-14(27-23(32)28-20(29)10-13-4-2-1-3-5-13)6-7-17(15)31-18-8-9-26-16-12-19(22(25)30)33-21(16)18/h1-9,11-12H,10H2,(H2,25,30)(H2,27,28,29,32)
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n/an/a 65n/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))
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 69n/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))
BDBM24509
PNG
(3-(3-fluoro-4-{[2-(thiophen-2-yl)thieno[3,2-b]pyri...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccs1
Show InChI InChI=1S/C26H18FN3O2S3/c27-18-14-17(29-26(33)30-24(31)13-16-5-2-1-3-6-16)8-9-20(18)32-21-10-11-28-19-15-23(35-25(19)21)22-7-4-12-34-22/h1-12,14-15H,13H2,(H2,29,30,31,33)
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n/an/a 70n/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))
BDBM24511
PNG
(3-(3-fluoro-4-{[2-(furan-3-yl)thieno[3,2-b]pyridin...)
Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccoc1
Show InChI InChI=1S/C26H18FN3O3S2/c27-19-13-18(29-26(34)30-24(31)12-16-4-2-1-3-5-16)6-7-21(19)33-22-8-10-28-20-14-23(35-25(20)22)17-9-11-32-15-17/h1-11,13-15H,12H2,(H2,29,30,31,34)
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n/an/a 74n/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-Arginine Methyltransferase CARM1


(Mus musculus (mouse))
BDBM27659
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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n/an/a 80n/an/an/an/a9.022



MethylGene Inc



Assay Description
Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...


Bioorg Med Chem Lett 19: 1218-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.075
BindingDB Entry DOI: 10.7270/Q2K64GC6
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24492
PNG
(7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...)
Show SMILES CNC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C24H19FN4O3S2/c1-26-23(31)20-13-17-22(34-20)19(9-10-27-17)32-18-8-7-15(12-16(18)25)28-24(33)29-21(30)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,26,31)(H2,28,29,30,33)
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n/an/a 80n/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 5


(Homo sapiens (Human))
BDBM50300443
PNG
(2,2-bis(3-fluorophenyl)-N-hydroxyacetamide | CHEMB...)
Show SMILES ONC(=O)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C14H11F2NO2/c15-11-5-1-3-9(7-11)13(14(18)17-19)10-4-2-6-12(16)8-10/h1-8,13,19H,(H,17,18)
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n/an/a 90n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal FLAG-tagged HDAC5 (620-1122) 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
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