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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50372468'   
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 8


(Homo sapiens (Human))
BDBM50372468
PNG
(CHEMBL406800 | SB-379278A)
Show SMILES S=c1[nH]cc([nH]1)-c1ccncc1
Show InChI InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-1-3-9-4-2-6/h1-5H,(H2,10,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) by HTS assay


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372468
PNG
(CHEMBL406800 | SB-379278A)
Show SMILES S=c1[nH]cc([nH]1)-c1ccncc1
Show InChI InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-1-3-9-4-2-6/h1-5H,(H2,10,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
BindingDB Entry DOI: 10.7270/Q2M32WMT
More data for this
Ligand-Target Pair