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SMILES: ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl

InChI Key: InChIKey=AFQVEPXLTDWOBX-CMDGGOBGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484750   
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))		BDBM50484750
PNG
(CHEMBL1958428)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN3O4S/c20-17-6-1-2-7-18(17)22-10-12-23(13-11-22)28(26,27)16-5-3-4-15(14-16)8-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-8+
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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