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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 = 'BDBM239061'   
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))
BDBM239061
PNG
(US9409858, 9c | US9751832, Compound 9c)
Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)C(=O)NO)no1
Show InChI InChI=1S/C13H14N4O4/c1-8-6-11(17-21-8)15-13(19)14-7-9-2-4-10(5-3-9)12(18)16-20/h2-6,20H,7H2,1H3,(H,16,18)(H2,14,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239061
PNG
(US9409858, 9c | US9751832, Compound 9c)
Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)C(=O)NO)no1
Show InChI InChI=1S/C13H14N4O4/c1-8-6-11(17-21-8)15-13(19)14-7-9-2-4-10(5-3-9)12(18)16-20/h2-6,20H,7H2,1H3,(H,16,18)(H2,14,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair