BindingDB logo
myBDB logout

BDBM120983 US8716285, 40

SMILES: ONC(=O)c1ccc2CCC(Cc2c1)NS(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=ZACXBNMJKYCGEK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 120983   
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 6


(Homo sapiens (Human))
BDBM120983
PNG
(US8716285, 40)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)NS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H17FN2O4S/c18-14-2-1-3-16(10-14)25(23,24)20-15-7-6-11-4-5-12(17(21)19-22)8-13(11)9-15/h1-5,8,10,15,20,22H,6-7,9H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 990n/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM120983
PNG
(US8716285, 40)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)NS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H17FN2O4S/c18-14-2-1-3-16(10-14)25(23,24)20-15-7-6-11-4-5-12(17(21)19-22)8-13(11)9-15/h1-5,8,10,15,20,22H,6-7,9H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 350n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 μl o...


US Patent US8716285 (2014)


BindingDB Entry DOI: 10.7270/Q2K072XG
More data for this
Ligand-Target Pair