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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50525675'   
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


(Homo sapiens (Human))
BDBM50525675
PNG
(CHEMBL4526883)
Show SMILES Cc1cc(C)cc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c1
Show InChI InChI=1S/C19H21N3O4/c1-13-9-14(2)11-17(10-13)20-19(24)22-26-12-16-5-3-15(4-6-16)7-8-18(23)21-25/h3-11,25H,12H2,1-2H3,(H,21,23)(H2,20,22,24)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Heinrich-Heine-University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.052
BindingDB Entry DOI: 10.7270/Q2VX0KZ8
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50525675
PNG
(CHEMBL4526883)
Show SMILES Cc1cc(C)cc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c1
Show InChI InChI=1S/C19H21N3O4/c1-13-9-14(2)11-17(10-13)20-19(24)22-26-12-16-5-3-15(4-6-16)7-8-18(23)21-25/h3-11,25H,12H2,1-2H3,(H,21,23)(H2,20,22,24)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Heinrich-Heine-University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.052
BindingDB Entry DOI: 10.7270/Q2VX0KZ8
More data for this
Ligand-Target Pair