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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 = 'BDBM50462719'   
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))
BDBM50462719
PNG
(CHEMBL4250891)
Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12
Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate


Bioorg Med Chem Lett 28: 2636-2640 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.037
BindingDB Entry DOI: 10.7270/Q2T1568C
More data for this
Ligand-Target Pair