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Compile Data Set for Download or QSAR

Found 627 hits with Last Name = 'suto' and Initial = 'm'   
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 3.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 8.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 11.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090430
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1cccs1 |t:16|
Show InChI InChI=1S/C16H14N4O4S/c1-3-24-16(23)10-8-17-14(11-5-4-6-25-11)18-13(10)19-20-12(21)7-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092879
PNG
(2-Chloro-4-methyl-pyrimidine-5-carboxylic acid (3,...)
Show SMILES Cc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H8ClF6N3O/c1-6-10(5-22-12(15)23-6)11(25)24-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,1H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 26.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 28.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214433
PNG
(1-(4-(dimethylamino)phenyl)-3-(7-(hydroxyamino)-7-...)
Show SMILES CN(C)c1ccc(NC(=O)NCCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C16H26N4O3/c1-20(2)14-10-8-13(9-11-14)18-16(22)17-12-6-4-3-5-7-15(21)19-23/h8-11,23H,3-7,12H2,1-2H3,(H,19,21)(H2,17,18,22)
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n/an/a 34.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 36.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 40.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 42.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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n/an/a 45.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 46.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062648
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Activating transcription factor 1


(Homo sapiens (Human))
BDBM50062648
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50062648
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50161470
PNG
(6-(2-Mercapto-acetylamino)-hexanoic acid quinolin-...)
Show SMILES SCC(=O)NCCCCCC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H21N3O2S/c21-15(9-2-1-3-10-18-16(22)12-23)20-14-8-4-6-13-7-5-11-19-17(13)14/h4-8,11,23H,1-3,9-10,12H2,(H,18,22)(H,20,21)
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n/an/a 95.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090407
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccsc1 |t:16|
Show InChI InChI=1S/C16H14N4O4S/c1-3-24-16(23)11-7-17-13(10-4-5-25-8-10)18-14(11)19-20-12(21)6-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090444
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccccc1 |t:16|
Show InChI InChI=1S/C18H16N4O4/c1-3-26-18(25)13-10-19-15(12-7-5-4-6-8-12)20-16(13)21-22-14(23)9-11(2)17(22)24/h4-10H,3H2,1-2H3,(H,19,20,21)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092877
PNG
(2-Fluoro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES Fc1ncc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C(F)(F)F
Show InChI InChI=1S/C14H5F10N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214437
PNG
(6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...)
Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 102n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50161469
PNG
(4-(dimethylamino)-N-(5-(2-mercaptoacetamido)pentyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCNC(=O)CS
Show InChI InChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21)
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University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Activating transcription factor 1


(Homo sapiens (Human))
BDBM50062645
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)
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n/an/a 120n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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n/an/a 130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Activating transcription factor 1


(Homo sapiens (Human))
BDBM50062658
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF6N3O3/c1-2-29-13(28)7-3-8(15(18,19)20)5-9(4-7)25-12(27)10-6-24-14(17)26-11(10)16(21,22)23/h3-6H,2H2,1H3,(H,25,27)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214437
PNG
(6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...)
Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 152n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 156n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062645
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)
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n/an/a 170n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214437
PNG
(6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...)
Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 173n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214433
PNG
(1-(4-(dimethylamino)phenyl)-3-(7-(hydroxyamino)-7-...)
Show SMILES CN(C)c1ccc(NC(=O)NCCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C16H26N4O3/c1-20(2)14-10-8-13(9-11-14)18-16(22)17-12-6-4-3-5-7-15(21)19-23/h8-11,23H,3-7,12H2,1-2H3,(H,19,21)(H2,17,18,22)
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n/an/a 176n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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n/an/a 178n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092882
PNG
(2,4-Dichloro-pyrimidine-5-carboxylic acid (3,5-bis...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H5Cl2F6N3O/c14-9-8(4-22-11(15)24-9)10(25)23-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,23,25)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090420
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccc(C)s1 |t:16|
Show InChI InChI=1S/C17H16N4O4S/c1-4-25-17(24)11-8-18-15(12-6-5-10(3)26-12)19-14(11)20-21-13(22)7-9(2)16(21)23/h5-8H,4H2,1-3H3,(H,18,19,20)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090431
PNG
(3-Methyl-1-[5-(4-methyl-oxazol-2-yl)-2-thiophen-2-...)
Show SMILES CC1=CC(=O)N(Nc2nc(ncc2-c2nc(C)co2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C17H13N5O3S/c1-9-6-13(23)22(17(9)24)21-14-11(16-19-10(2)8-25-16)7-18-15(20-14)12-4-3-5-26-12/h3-8H,1-2H3,(H,18,20,21)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090443
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(SC)nc1NN1C(=O)C=C(C)C1=O |t:18|
Show InChI InChI=1S/C13H14N4O4S/c1-4-21-12(20)8-6-14-13(22-3)15-10(8)16-17-9(18)5-7(2)11(17)19/h5-6H,4H2,1-3H3,(H,14,15,16)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090442
PNG
(3-Methyl-1-[5-(2-methyl-2H-tetrazol-5-yl)-2-thioph...)
Show SMILES CC1=CC(=O)N(Nc2nc(ncc2-c2nnn(C)n2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C15H12N8O2S/c1-8-6-11(24)23(15(8)25)20-12-9(13-18-21-22(2)19-13)7-16-14(17-12)10-4-3-5-26-10/h3-7H,1-2H3,(H,16,17,20)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090406
PNG
(1-(5-(4,5-dihydrooxazol-2-yl)-2-(thiophen-2-yl)pyr...)
Show SMILES CC1=CC(=O)N(Nc2nc(ncc2C2=NCCO2)-c2cccs2)C1=O |t:1,14|
Show InChI InChI=1S/C16H13N5O3S/c1-9-7-12(22)21(16(9)23)20-13-10(15-17-4-5-24-15)8-18-14(19-13)11-3-2-6-25-11/h2-3,6-8H,4-5H2,1H3,(H,18,19,20)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 205n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214433
PNG
(1-(4-(dimethylamino)phenyl)-3-(7-(hydroxyamino)-7-...)
Show SMILES CN(C)c1ccc(NC(=O)NCCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C16H26N4O3/c1-20(2)14-10-8-13(9-11-14)18-16(22)17-12-6-4-3-5-7-15(21)19-23/h8-11,23H,3-7,12H2,1-2H3,(H,19,21)(H2,17,18,22)
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n/an/a 209n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214434
PNG
(4-Dimethylamino-N-[3-(2-mercapto-acetylamino)-prop...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCNC(=O)CS
Show InChI InChI=1S/C14H21N3O2S/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-3-8-15-13(18)10-20/h4-7,20H,3,8-10H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a 216n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062658
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF6N3O3/c1-2-29-13(28)7-3-8(15(18,19)20)5-9(4-7)25-12(27)10-6-24-14(17)26-11(10)16(21,22)23/h3-6H,2H2,1H3,(H,25,27)
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n/an/a 280n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092872
PNG
(2-Chloro-4-ethyl-pyrimidine-5-carboxylic acid (3,5...)
Show SMILES CCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090429
PNG
(2-(3,5-Dichloro-phenyl)-4-(3-methyl-2,5-dioxo-2,5-...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1cc(Cl)cc(Cl)c1 |t:16|
Show InChI InChI=1S/C18H14Cl2N4O4/c1-3-28-18(27)13-8-21-15(10-5-11(19)7-12(20)6-10)22-16(13)23-24-14(25)4-9(2)17(24)26/h4-8H,3H2,1-2H3,(H,21,22,23)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092890
PNG
(2-Chloro-pyrimidine-5-carboxylic acid (3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-4-6(5-22-11)10(24)23-9-2-7(12(15,16)17)1-8(3-9)13(18,19)20/h1-5H,(H,23,24)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090450
PNG
(3-Methyl-1-[5-(5-methyl-[1,3,4]oxadiazol-2-yl)-2-t...)
Show SMILES CC1=CC(=O)N(Nc2nc(ncc2-c2nnc(C)o2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C16H12N6O3S/c1-8-6-12(23)22(16(8)24)21-13-10(15-20-19-9(2)25-15)7-17-14(18-13)11-4-3-5-26-11/h3-7H,1-2H3,(H,17,18,21)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
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