new BindingDB logo
myBDB logout

BDBM50312623 CHEMBL1076939::Octanedioic Acid-{3-[1-(3-Fluoro-4-methoxyphenyl)-1H-[1,2,3]-triazol-4-yl]phenyl}amide-Hydroxyamide

SMILES: COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1

InChI Key: InChIKey=MAMVMWHNRXWFPT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50312623   
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 3


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.39n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.06n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.85n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair