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SMILES: OC(=O)CCc1nc2ccccc2nc1OCc1ccccn1

InChI Key: InChIKey=TXJSUZJFIYIMRT-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242198   
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))
BDBM50242198
PNG
(CHEMBL4095967)
Show SMILES OC(=O)CCc1nc2ccccc2nc1OCc1ccccn1
Show InChI InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 2.70E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown ori...


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)