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BDBM50336342 CHEMBL1668018::N-hydroxy-3-(1-(3-(naphthalen-2-yl)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanamide

SMILES: ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O

InChI Key: InChIKey=ZIQAJFVTKUTVEP-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50336342   
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))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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PubMed
n/an/a 2.56E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 800n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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Article
PubMed
n/an/a 8.01E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair