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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1

InChI Key: InChIKey=BKQJCMOVBFAIQR-VWLOTQADSA-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 5 hits for monomerid = 50214439   
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 8


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 2.06E+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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 36.9n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 9n/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))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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PubMed
n/an/a 205n/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
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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Article
PubMed
n/an/a 42.1n/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