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SMILES: COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccccc3)c(=O)c2c1

InChI Key: InChIKey=LCYAKIAUIKJXQT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65474   
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))		BDBM65474
PNG
(Quinolone-based HDAC inhibitor 4k)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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