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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 = 'BDBM50151325'   
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))		BDBM50151325
PNG
(CHEMBL3775072)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C21H28N4O3/c1-15-22-19-8-6-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-5-3-4-9-20(26)24-27/h10-13,27H,3-9,14H2,1-2H3,(H,24,26)
PDB
MMDB

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Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...

J Med Chem 59: 1455-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01342
BindingDB Entry DOI: 10.7270/Q2T155H3
More data for this
Ligand-Target Pair