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SMILES: COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3nc4ccccc4s3)c(=O)c2c1

InChI Key: InChIKey=IBZSPGLSWILHJA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65479   
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))		BDBM65479
PNG
(Quinolone-based HDAC inhibitor 4p)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C23H22N4O5S/c1-32-14-9-10-18-15(12-14)21(29)16(13-27(18)11-5-4-8-20(28)26-31)22(30)25-23-24-17-6-2-3-7-19(17)33-23/h2-3,6-7,9-10,12-13,31H,4-5,8,11H2,1H3,(H,26,28)(H,24,25,30)
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PubMed
n/an/a 28n/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