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BDBM50261816 CHEMBL511749::tert-butyl 4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate

SMILES: CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO

InChI Key: InChIKey=WWGBHDIHIVGYLZ-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50261816   
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
Histone deacetylase 1


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 271n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 252n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 0.420n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 6.85E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 0.00200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 190n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electr...


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
BindingDB Entry DOI: 10.7270/Q29G5P7J
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 340n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis


Bioorg Med Chem Lett 20: 7067-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.100
BindingDB Entry DOI: 10.7270/Q2FN16FW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 40n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis


Bioorg Med Chem Lett 20: 7067-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.100
BindingDB Entry DOI: 10.7270/Q2FN16FW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 3.57E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis


Bioorg Med Chem Lett 20: 7067-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.100
BindingDB Entry DOI: 10.7270/Q2FN16FW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 27n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis


Bioorg Med Chem Lett 20: 7067-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.100
BindingDB Entry DOI: 10.7270/Q2FN16FW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 90.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) after 17 hrs


J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair