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SMILES: COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1

InChI Key: InChIKey=MGSWWLRRHNTTGB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65466   
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))		BDBM65466
PNG
(Quinolone-based HDAC inhibitor 4e)
Show SMILES COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C23H25N3O5/c1-31-17-11-9-16(10-12-17)14-24-23(29)19-15-26(13-5-4-8-21(27)25-30)20-7-3-2-6-18(20)22(19)28/h2-3,6-7,9-12,15,30H,4-5,8,13-14H2,1H3,(H,24,29)(H,25,27)
PDB

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antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/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