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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 = 'BDBM110027'   
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))
BDBM110027
PNG
(US8609678, N-(4-(7-(hydroxyamino)-7-oxoheptylcarba...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O4/c31-25(29-34)15-9-1-2-10-20-28-26(32)21-16-18-24(19-17-21)30(23-13-7-4-8-14-23)27(33)22-11-5-3-6-12-22/h3-8,11-14,16-19,34H,1-2,9-10,15,20H2,(H,28,32)(H,29,31)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 2n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM110027
PNG
(US8609678, N-(4-(7-(hydroxyamino)-7-oxoheptylcarba...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O4/c31-25(29-34)15-9-1-2-10-20-28-26(32)21-16-18-24(19-17-21)30(23-13-7-4-8-14-23)27(33)22-11-5-3-6-12-22/h3-8,11-14,16-19,34H,1-2,9-10,15,20H2,(H,28,32)(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 67n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair