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BDBM50196599 7-(3-fluoro-4-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylamino)phenoxy)-N-hydroxyheptanamide::CHEMBL217263

SMILES: Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O

InChI Key: InChIKey=XXNTYNBQALRDDA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196599   
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))
BDBM50196599
PNG
(7-(3-fluoro-4-((3-hydroxy-5-(hydroxymethyl)-2-meth...)
Show SMILES Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O
Show InChI InChI=1S/C21H28FN3O5/c1-14-21(28)17(15(13-26)11-23-14)12-24-19-8-7-16(10-18(19)22)30-9-5-3-2-4-6-20(27)25-29/h7-8,10-11,24,26,28-29H,2-6,9,12-13H2,1H3,(H,25,27)
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 70n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source


Bioorg Med Chem Lett 17: 136-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.085
BindingDB Entry DOI: 10.7270/Q2B56JDQ
More data for this
Ligand-Target Pair