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BDBM50078758 CHEMBL3415455

SMILES: CN(C)CCOc1cccc(c1)N1CCC(Nc2ccc(cc2)C(=O)NO)C1=O

InChI Key: InChIKey=CVDUJOYTUXQPEX-UHFFFAOYNA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50078758   
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))
BDBM50078758
PNG
(CHEMBL3415455)
Show SMILES CN(C)CCOc1cccc(c1)N1CCC(Nc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1/C21H26N4O4/c1-24(2)12-13-29-18-5-3-4-17(14-18)25-11-10-19(21(25)27)22-16-8-6-15(7-9-16)20(26)23-28/h3-9,14,19,22,28H,10-13H2,1-2H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


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


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair