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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 = 'BDBM337645'   
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))
BDBM337645
PNG
(US10227295, Compound 1 | US9751832, Compound 1)
Show SMILES COc1ccccc1NC(=O)NCc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-13(14)19-16(21)18-10-11-6-8-12(9-7-11)15(17)20/h2-9H,10H2,1H3,(H2,17,20)(H2,18,19,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 139n/an/an/an/an/an/a



Vernalis (R&D) Ltd



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...


J Med Chem 51: 196-218 (2008)


BindingDB Entry DOI: 10.7270/Q2VD71RF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM337645
PNG
(US10227295, Compound 1 | US9751832, Compound 1)
Show SMILES COc1ccccc1NC(=O)NCc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-13(14)19-16(21)18-10-11-6-8-12(9-7-11)15(17)20/h2-9H,10H2,1H3,(H2,17,20)(H2,18,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 139n/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


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 US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair