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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 = 'BDBM50273537'   
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))
BDBM50273537
PNG
(CHEMBL4128164 | US11535607, Example 50-5)
Show SMILES ONC(=O)c1ccc2CN(CCc2c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16N4O2/c22-16(20-23)12-5-6-13-10-21(8-7-11(13)9-12)17-18-14-3-1-2-4-15(14)19-17/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,22)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay


Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50273537
PNG
(CHEMBL4128164 | US11535607, Example 50-5)
Show SMILES ONC(=O)c1ccc2CN(CCc2c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16N4O2/c22-16(20-23)12-5-6-13-10-21(8-7-11(13)9-12)17-18-14-3-1-2-4-15(14)19-17/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,22)
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
The measurement of HD AC 11 deacetylase activity was performed using an electrophoretic mobility shift assay by Nanosyn (Santa Clara, Calif.). Full l...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M330NW
More data for this
Ligand-Target Pair