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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'maruyama' and Initial = 's'   
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
Tyrosinase


(Mus musculus (Mouse))
BDBM50414514
PNG
(PROTOCATECHUAMIDE)
Show SMILES NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)
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3.70E+3n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296245
PNG
(3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)
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6.40E+4n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM29612
PNG
(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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2.40E+5n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
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 26n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 17: 1558-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.117
BindingDB Entry DOI: 10.7270/Q2F18ZCJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 48n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 17: 1558-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.117
BindingDB Entry DOI: 10.7270/Q2F18ZCJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475239
PNG
(CHEMBL112234)
Show SMILES SCCCCCCC(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H20N2OS/c19-16(9-3-1-2-6-10-20)18-14-11-13-7-4-5-8-15(13)17-12-14/h4-5,7-8,11-12,20H,1-3,6,9-10H2,(H,18,19)
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n/an/a 72n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475246
PNG
(CHEMBL320323)
Show SMILES SCCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H23NOS/c21-19(13-6-1-2-7-14-22)20-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,22H,1-2,6-7,13-14H2,(H,20,21)
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n/an/a 75n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475237
PNG
(CHEMBL112105)
Show SMILES SCCCCCCNC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H19NO2S/c17-15(16-9-5-1-2-6-10-19)14-11-12-7-3-4-8-13(12)18-14/h3-4,7-8,11,19H,1-2,5-6,9-10H2,(H,16,17)
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n/an/a 79n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475250
PNG
(CHEMBL113421)
Show SMILES SCCCCCCNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H21NOS/c19-17(18-11-5-1-2-6-12-20)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,20H,1-2,5-6,11-12H2,(H,18,19)
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n/an/a 85n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475236
PNG
(CHEMBL113159)
Show SMILES SCCCCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H20N2OS/c18-15(16-9-5-1-2-6-10-19)14-11-12-7-3-4-8-13(12)17-14/h3-4,7-8,11,17,19H,1-2,5-6,9-10H2,(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223653
PNG
(CHEMBL332246)
Show SMILES SCCCCCCC(=O)Nc1cccnc1
Show InChI InChI=1S/C12H18N2OS/c15-12(7-3-1-2-4-9-16)14-11-6-5-8-13-10-11/h5-6,8,10,16H,1-4,7,9H2,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 170n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223648
PNG
(CHEMBL322504)
Show SMILES SCCCCCCC(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H23NO2S/c21-19(13-6-1-2-7-14-23)20-16-9-8-12-18(15-16)22-17-10-4-3-5-11-17/h3-5,8-12,15,23H,1-2,6-7,13-14H2,(H,20,21)
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n/an/a 210n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM152692
PNG
(Thiol-SAHA (t-SAHA))
Show SMILES SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
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n/an/a 210n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 280n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50221784
PNG
(CHEMBL112211)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H22N2O3/c1-17-16(21)14(19)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 340n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475243
PNG
(CHEMBL178779)
Show SMILES SCCCCCCC(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H18N2OS2/c17-13(9-3-1-2-6-10-18)16-14-15-11-7-4-5-8-12(11)19-14/h4-5,7-8,18H,1-3,6,9-10H2,(H,15,16,17)
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n/an/a 340n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223650
PNG
(CHEMBL112364)
Show SMILES SCCCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
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n/an/a 360n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50027600
PNG
(6-Mercapto-Hexanoic Acid Phenylamide | CHEMBL10965...)
Show SMILES SCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C12H17NOS/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
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n/an/a 370n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50157884
PNG
(6-(2-Mercapto-acetylamino)-hexanoic acid phenylami...)
Show SMILES SCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)
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n/an/a 390n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475240
PNG
(CHEMBL324126)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCS
Show InChI InChI=1S/C15H24N2OS/c1-17(2)14-9-7-13(8-10-14)15(18)16-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,16,18)
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n/an/a 610n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223651
PNG
(CHEMBL112129)
Show SMILES SCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO2S/c21-19(10-6-1-2-7-15-23)20-16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,1-2,6-7,10,15H2,(H,20,21)
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n/an/a 620n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475242
PNG
(CHEMBL112311)
Show SMILES SCCCCCCC(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H23NOS/c21-19(10-6-1-2-7-15-22)20-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,22H,1-2,6-7,10,15H2,(H,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475247
PNG
(CHEMBL325675)
Show SMILES CN(C)c1ccc(NC(=O)CCCCCCS)cc1
Show InChI InChI=1S/C15H24N2OS/c1-17(2)14-10-8-13(9-11-14)16-15(18)7-5-3-4-6-12-19/h8-11,19H,3-7,12H2,1-2H3,(H,16,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50027601
PNG
(8-Mercapto-Octanoic Acid Phenylamide)
Show SMILES SCCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H21NOS/c16-14(11-7-2-1-3-8-12-17)15-13-9-5-4-6-10-13/h4-6,9-10,17H,1-3,7-8,11-12H2,(H,15,16)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138420
PNG
(8-(Formyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES ON(CCCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C15H22N2O3/c18-13-17(20)12-8-3-1-2-7-11-15(19)16-14-9-5-4-6-10-14/h4-6,9-10,13,20H,1-3,7-8,11-12H2,(H,16,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475241
PNG
(5-Mercapto-Pentanoic Acid Phenylamide | CHEMBL1143...)
Show SMILES SCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H15NOS/c13-11(8-4-5-9-14)12-10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,12,13)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475249
PNG
(CHEMBL111806)
Show SMILES CC(=O)SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H21NO2S/c1-13(17)19-12-8-3-2-7-11-15(18)16-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,18)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223652
PNG
(CHEMBL109796)
Show SMILES SCCCCCCOc1ccccc1
Show InChI InChI=1S/C12H18OS/c14-11-7-2-1-6-10-13-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222416
PNG
(CHEMBL344920)
Show SMILES BrCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H19BrN2O2/c15-11-14(19)16-10-6-2-5-9-13(18)17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,19)(H,17,18)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50157890
PNG
(CHEMBL178150 | S-2-oxo-2-(6-oxo-6-(phenylamino)hex...)
Show SMILES CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H22N2O3S/c1-13(19)22-12-16(21)17-11-7-3-6-10-15(20)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296247
PNG
(3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+
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n/an/a 2.80E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296244
PNG
(2,4-dihydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)...)
Show SMILES Oc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)c(O)c1
Show InChI InChI=1S/C17H16N2O4/c20-11-2-4-15-14(7-11)10(9-19-15)5-6-18-17(23)13-3-1-12(21)8-16(13)22/h1-4,7-9,19-22H,5-6H2,(H,18,23)
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n/an/a 4.20E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 6.10E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a 6.80E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296245
PNG
(3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)
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n/an/a 7.30E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475244
PNG
(CHEMBL426239)
Show SMILES ONC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19N3O3/c17-12(15-11-7-3-1-4-8-11)9-5-2-6-10-14-13(18)16-19/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,17)(H2,14,16,18)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474959
PNG
(CHEMBL362408)
Show SMILES NCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H21N3O2/c15-11-14(19)16-10-6-2-5-9-13(18)17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,15H2,(H,16,19)(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50157889
PNG
(6-(2-Hydroxy-acetylamino)-hexanoic acid phenylamid...)
Show SMILES OCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-11-14(19)15-10-6-2-5-9-13(18)16-12-7-3-1-4-8-12/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,19)(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223649
PNG
(7-Methylsulfanyl-Heptanoic Acid Phenylamide | CHEM...)
Show SMILES CSCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H21NOS/c1-17-12-8-3-2-7-11-14(16)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475238
PNG
(CHEMBL178088)
Show SMILES O=C(CCCCCN(CC#C)CC#C)Nc1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-3-14-20(15-4-2)16-10-6-9-13-18(21)19-17-11-7-5-8-12-17/h1-2,5,7-8,11-12H,6,9-10,13-16H2,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475248
PNG
(7-Hydroxysulfamoyl-Heptanoic Acid Phenylamide | CH...)
Show SMILES ONS(=O)(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H20N2O4S/c16-13(14-12-8-4-3-5-9-12)10-6-1-2-7-11-20(18,19)15-17/h3-5,8-9,15,17H,1-2,6-7,10-11H2,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475245
PNG
(CHEMBL178151)
Show SMILES O=C(CCCCCNCC#C)Nc1ccccc1
Show InChI InChI=1S/C15H20N2O/c1-2-12-16-13-8-4-7-11-15(18)17-14-9-5-3-6-10-14/h1,3,5-6,9-10,16H,4,7-8,11-13H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50203548
PNG
(CHEMBL384522 | S-7-oxo-7-(4-phenylthiazol-2-ylamin...)
Show SMILES CC(Cc1ccccc1)C(=O)SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H30N2O2S2/c1-20(18-21-12-6-4-7-13-21)25(30)31-17-11-3-2-10-16-24(29)28-26-27-23(19-32-26)22-14-8-5-9-15-22/h4-9,12-15,19-20H,2-3,10-11,16-18H2,1H3,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 17: 1558-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.117
BindingDB Entry DOI: 10.7270/Q2F18ZCJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222413
PNG
(CHEMBL112539)
Show SMILES NNC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H20N4O2/c14-17-13(19)15-10-6-2-5-9-12(18)16-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,16,18)(H2,15,17,19)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296243
PNG
(4-hydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-3-m...)
Show SMILES COc1cc(ccc1O)C(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O4/c1-24-17-8-11(2-5-16(17)22)18(23)19-7-6-12-10-20-15-4-3-13(21)9-14(12)15/h2-5,8-10,20-22H,6-7H2,1H3,(H,19,23)
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n/an/a 2.11E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296246
PNG
(CHEMBL564482 | N-Feruloylserotonin)
Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
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n/an/a 2.16E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474956
PNG
(7-Methanesulfonyl-Heptanoic Acid Phenylamide | CHE...)
Show SMILES CS(=O)(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H21NO3S/c1-19(17,18)12-8-3-2-7-11-14(16)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,15,16)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase


J Med Chem 48: 1019-32 (2005)


Article DOI: 10.1021/jm049207j
BindingDB Entry DOI: 10.7270/Q25T3P70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296242
PNG
(4-hydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)benz...)
Show SMILES Oc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C17H16N2O3/c20-13-3-1-11(2-4-13)17(22)18-8-7-12-10-19-16-6-5-14(21)9-15(12)16/h1-6,9-10,19-21H,7-8H2,(H,18,22)
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n/an/a 2.33E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
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