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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 = 'BDBM50319240'   
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))		BDBM50319240
PNG
(7-(3-Benzoyl-1-benzyl-ureido)-heptanoic acid hydro...)
Show SMILES ONC(=O)CCCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O4/c26-20(24-29)15-9-1-2-10-16-25(17-18-11-5-3-6-12-18)22(28)23-21(27)19-13-7-4-8-14-19/h3-8,11-14,29H,1-2,9-10,15-17H2,(H,24,26)(H,23,27,28)
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation

Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair