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SMILES: ONC(=O)c1cc2CC(CCc2cc1F)NS(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=CIKFKPCMEWAQSM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120994   
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))
BDBM120994
PNG
(US8716285, 51)
Show SMILES ONC(=O)c1cc2CC(CCc2cc1F)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClFN2O4S/c18-12-2-5-14(6-3-12)26(24,25)21-13-4-1-10-9-16(19)15(17(22)20-23)8-11(10)7-13/h2-3,5-6,8-9,13,21,23H,1,4,7H2,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.28E+3n/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