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SMILES: COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1

InChI Key: InChIKey=JLWHDPXETMJCSP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65482   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 1/11/4/6/8


(Homo sapiens (Human))		BDBM65482
PNG
(Quinolone-based HDAC inhibitor 4s)
Show SMILES COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C23H24FN3O5/c1-32-17-8-5-15(6-9-17)13-25-23(30)19-14-27(11-3-2-4-21(28)26-31)20-10-7-16(24)12-18(20)22(19)29/h5-10,12,14,31H,2-4,11,13H2,1H3,(H,25,30)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...

J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.3109/14756366.2013.827675
BindingDB Entry DOI: 10.7270/Q22J6916
More data for this
Ligand-Target Pair