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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50007255   
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))
BDBM50507695
PNG
(CHEMBL4554270 | US11535598, Compound 15)
Show SMILES COc1ccccc1CCn1c(=O)n(Cc2ccc(cc2)C(=O)NO)c2ccccc2c1=O
Show InChI InChI=1S/C25H23N3O5/c1-33-22-9-5-2-6-18(22)14-15-27-24(30)20-7-3-4-8-21(20)28(25(27)31)16-17-10-12-19(13-11-17)23(29)26-32/h2-13,32H,14-16H2,1H3,(H,26,29)
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2.10n/an/an/an/an/an/an/an/a



AnnJi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated...


J Med Chem 62: 857-874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01590
BindingDB Entry DOI: 10.7270/Q2833WBH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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CHEMBL
MCE
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PC sid
PDB
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Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



AnnJi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated...


J Med Chem 62: 857-874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01590
BindingDB Entry DOI: 10.7270/Q2833WBH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50507698
PNG
(CHEMBL4438057 | US11535598, Compound 12)
Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)
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PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



AnnJi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated...


J Med Chem 62: 857-874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01590
BindingDB Entry DOI: 10.7270/Q2833WBH
More data for this
Ligand-Target Pair