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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50507255'   
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 1


(Homo sapiens (Human))		BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst...

Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
BindingDB Entry DOI: 10.7270/Q2JQ14BB
More data for this
Ligand-Target Pair