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SMILES: ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=JRJZPKJIRHUYNP-AATRIKPKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484751   
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


(Homo sapiens (Human))		BDBM50484751
PNG
(CHEMBL1958422)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H19N5O4S/c23-16(20-24)6-5-14-3-1-4-15(13-14)27(25,26)22-11-9-21(10-12-22)17-18-7-2-8-19-17/h1-8,13,24H,9-12H2,(H,20,23)/b6-5+
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



London School of Hygiene and Tropical Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis

Bioorg Med Chem Lett 22: 1886-90 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.072
BindingDB Entry DOI: 10.7270/Q2QF8WQT
More data for this
Ligand-Target Pair