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SMILES: ONC(=O)CCCCOCc1cc(on1)-c1ccccc1

InChI Key: InChIKey=KRACSDQCCUJHLD-UHFFFAOYSA-N

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 6 hits for monomerid = 50261972   
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))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 124n/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 2


(Homo sapiens (Human))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 133n/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
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 155n/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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 3.32E+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 6


(Homo sapiens (Human))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 49.5n/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


(Homo sapiens (Human))
BDBM50261972
PNG
(CHEMBL513160 | N-hydroxy-5-((5-phenylisoxazol-3-yl...)
Show SMILES ONC(=O)CCCCOCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O4/c18-15(16-19)8-4-5-9-20-11-13-10-14(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,18)
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n/an/a 12.9n/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