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10 similar compounds to monomer 50148598

Compile data set for download or QSAR
Wt: 424.8
BDBM50148605
Wt: 220.2
BDBM50148610
Wt: 204.1
BDBM50148611
Wt: 283.0
BDBM50148612
Wt: 218.2
BDBM50148622
Wt: 280.2
BDBM50148623
Wt: 508.5
BDBM50148628
Wt: 372.3
BDBM50148599
Wt: 283.0
BDBM50148616
Wt: 238.6
BDBM50148617

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50148605,50148610,50148611,50148612,50148622,50148623,50148628,50148599,50148616,50148617   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50148599
PNG
(CHEMBL3770782)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCCC#N
Show InChI InChI=1S/C17H20N6O4/c18-7-5-3-1-2-4-6-11-21-15(19)12-16(22-11)23(9-20-12)17-14(26)13(25)10(8-24)27-17/h9-10,13-14,17,24-26H,1-3,5,8H2,(H2,19,21,22)/t10-,13-,14-,17-/m1/s1
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49n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptor


J Med Chem 59: 788-809 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/an/a 1.47E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148610
PNG
(CHEMBL3770917)
Show SMILES ONC(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2S/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148611
PNG
(CHEMBL3769783)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148612
PNG
(CHEMBL3770095)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148616
PNG
(CHEMBL3770606)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1Br
Show InChI InChI=1S/C10H7BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148617
PNG
(CHEMBL3771189)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148622
PNG
(CHEMBL3771174)
Show SMILES Cc1ccc(cc1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)11-12-9(6-16-11)10(14)13-15/h2-6,15H,1H3,(H,13,14)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148610
PNG
(CHEMBL3770917)
Show SMILES ONC(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2S/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148611
PNG
(CHEMBL3769783)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 270n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148612
PNG
(CHEMBL3770095)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 59n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148616
PNG
(CHEMBL3770606)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1Br
Show InChI InChI=1S/C10H7BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148617
PNG
(CHEMBL3771189)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 81n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148622
PNG
(CHEMBL3771174)
Show SMILES Cc1ccc(cc1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)11-12-9(6-16-11)10(14)13-15/h2-6,15H,1H3,(H,13,14)
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n/an/a 313n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148610
PNG
(CHEMBL3770917)
Show SMILES ONC(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2S/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148611
PNG
(CHEMBL3769783)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 4.19E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148612
PNG
(CHEMBL3770095)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148616
PNG
(CHEMBL3770606)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1Br
Show InChI InChI=1S/C10H7BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148617
PNG
(CHEMBL3771189)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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PubMed
n/an/a 3.08E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148622
PNG
(CHEMBL3771174)
Show SMILES Cc1ccc(cc1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)11-12-9(6-16-11)10(14)13-15/h2-6,15H,1H3,(H,13,14)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50148628
PNG
(CHEMBL3769629)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C[C@@H](NC1=O)C(=O)NCCCC(=O)NO
Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDAC3 using FITC-p53 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay


J Med Chem 59: 1613-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01632
BindingDB Entry DOI: 10.7270/Q2SB47MP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50148628
PNG
(CHEMBL3769629)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C[C@@H](NC1=O)C(=O)NCCCC(=O)NO
Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDAC1 using FAM-labelled substrate A incubated for 60 mins by microfluidic chip-based assay


J Med Chem 59: 1613-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01632
BindingDB Entry DOI: 10.7270/Q2SB47MP
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50148628
PNG
(CHEMBL3769629)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C[C@@H](NC1=O)C(=O)NCCCC(=O)NO
Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDAC8 using FAM-labelled substrate B incubated for 60 mins by microfluidic chip-based assay


J Med Chem 59: 1613-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01632
BindingDB Entry DOI: 10.7270/Q2SB47MP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148628
PNG
(CHEMBL3769629)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C[C@@H](NC1=O)C(=O)NCCCC(=O)NO
Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19+/m1/s1
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n/an/a 7.66E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDAC6 using FITC-histone 4 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay


J Med Chem 59: 1613-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01632
BindingDB Entry DOI: 10.7270/Q2SB47MP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/an/a 300n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair