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SMILES: ONC(=O)CCc1csc(\C=C\c2ccc(Cl)cc2)n1

InChI Key: InChIKey=HXBASEBNOLHHFN-FPYGCLRLSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50522934   
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 6


(Homo sapiens (Human))
BDBM50522934
PNG
(CHEMBL4450477)
Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C14H13ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 592n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...


Bioorg Med Chem 27: 3408-3420 (2019)


Article DOI: 10.1016/j.bmc.2019.06.036
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50522934
PNG
(CHEMBL4450477)
Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C14H13ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.96E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...


Bioorg Med Chem 27: 3408-3420 (2019)


Article DOI: 10.1016/j.bmc.2019.06.036
More data for this
Ligand-Target Pair