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BDBM50214431 8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid hydroxyamide::CHEMBL227119

SMILES: CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1

InChI Key: InChIKey=FJIZCQBWUCHHAR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50214431   
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 10


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
PDB
MMDB

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PC sid
UniChem
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PubMed
n/an/a 45.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
PDB
MMDB

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PC sid
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n/an/a 492n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC8 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair