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SMILES: COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1

InChI Key: InChIKey=UVVJOVKSHROMAO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65476   
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))		BDBM65476
PNG
(Quinolone-based HDAC inhibitor 4m)
Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1
Show InChI InChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27)
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PubMed
n/an/a 75n/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