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SMILES: COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3cc(nn3C)-c3ccccc3)c(=O)c2c1

InChI Key: InChIKey=RNHCIGNFMATYGL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65478   
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))		BDBM65478
PNG
(Quinolone-based HDAC inhibitor 4o)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3cc(nn3C)-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H27N5O5/c1-30-23(15-21(28-30)17-8-4-3-5-9-17)27-26(34)20-16-31(13-7-6-10-24(32)29-35)22-12-11-18(36-2)14-19(22)25(20)33/h3-5,8-9,11-12,14-16,35H,6-7,10,13H2,1-2H3,(H,27,34)(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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