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BDBM120953 US8716285, 10

SMILES: ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1

InChI Key: InChIKey=XQSZMEXRSABCGW-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 = 120953   
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))
BDBM120953
PNG
(US8716285, 10)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-20(25-27)16-7-6-14-8-9-18(13-17(14)12-16)23-21-22-11-10-19(24-21)15-4-2-1-3-5-15/h1-7,10-12,18,27H,8-9,13H2,(H,25,26)(H,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.31E+3n/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))
BDBM120953
PNG
(US8716285, 10)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-20(25-27)16-7-6-14-8-9-18(13-17(14)12-16)23-21-22-11-10-19(24-21)15-4-2-1-3-5-15/h1-7,10-12,18,27H,8-9,13H2,(H,25,26)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+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