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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50534346'   
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))		BDBM50534346
PNG
(CHEMBL4530273)
Show SMILES CCCCCc1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r|
Show InChI InChI=1S/C22H26N4O2/c1-2-3-6-15-19-21(18-13-9-5-10-14-18)23-25-26(19)20(22(27)24-28)16-17-11-7-4-8-12-17/h4-5,7-14,20,28H,2-3,6,15-16H2,1H3,(H,24,27)/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay

ACS Med Chem Lett 7: 929-932 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718
More data for this
Ligand-Target Pair