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SMILES: ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1

InChI Key: InChIKey=LXUGQSIPCDMDHL-FMIVXFBMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50525659   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50525659
PNG
(CHEMBL4438702)
Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.92E+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
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50525659
PNG
(CHEMBL4438702)
Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.83E+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
More data for this
Ligand-Target Pair