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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50535402'   
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))
BDBM50535402
PNG
(CHEMBL4449010)
Show SMILES ONC(=O)CCCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H18N4O4S/c20-12(19-23)4-2-1-3-7-16-15(24)17-9-5-6-10-11(8-9)14(22)18-13(10)21/h5-6,8,23H,1-4,7H2,(H,19,20)(H2,16,17,24)(H,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.19E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00931
BindingDB Entry DOI: 10.7270/Q2CF9V25
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50535402
PNG
(CHEMBL4449010)
Show SMILES ONC(=O)CCCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H18N4O4S/c20-12(19-23)4-2-1-3-7-16-15(24)17-9-5-6-10-11(8-9)14(22)18-13(10)21/h5-6,8,23H,1-4,7H2,(H,19,20)(H2,16,17,24)(H,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.19E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC6 expressed in baculovirus infected Sf6 insect cells using batcp as substrate incubated for 1 hr by fl...


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
More data for this
Ligand-Target Pair