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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50252391'   
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))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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UniChem
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PubMed
n/an/a 0.810n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using RHK-K(Ac)-A...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 using p53 fluorogenic peptide (379 to 382 residues) RHKKAc as substrate by fluorescence-based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.10.040
BindingDB Entry DOI: 10.7270/Q25H7KV7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 164: 214-240 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of HADC6 (unknown origin)


J Med Chem 63: 23-39 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00924
BindingDB Entry DOI: 10.7270/Q2280BWS
More data for this
Ligand-Target Pair