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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50380402'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380402
PNG
(CHEMBL2018299)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.06n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair