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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 = 'BDBM50078680'   
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))
BDBM50078680
PNG
(CHEMBL3415454)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(17(21)23)19-13-6-4-11(5-7-13)16(22)20-24/h1-7,10,15,19,24H,8-9H2,(H,20,22)
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/a 90n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate


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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50078680
PNG
(CHEMBL3415454)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(17(21)23)19-13-6-4-11(5-7-13)16(22)20-24/h1-7,10,15,19,24H,8-9H2,(H,20,22)
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 2.80E+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