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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50462240'   
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))		BDBM50462240
PNG
(CHEMBL4249195)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C22H25N3O6/c1-12(2)15-10-16(19(27)11-18(15)26)22(30)25-8-7-13-9-14(3-4-17(13)25)23-20(28)5-6-21(29)24-31/h3-4,9-12,26-27,31H,5-8H2,1-2H3,(H,23,28)(H,24,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis

Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair