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SMILES: COc1ccc(cc1OC)S(=O)(=O)NCc1ccc(\C=C\C(=O)Nc2ccccc2N)cc1

InChI Key: InChIKey=PEXVMBOQAZVWSQ-SDNWHVSQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123972   
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


(Homo sapiens (Human))		BDBM50123972
PNG
(CHEMBL353018 | N-(2-Amino-phenyl)-3-{4-[(3,4-dimet...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCc1ccc(\C=C\C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C24H25N3O5S/c1-31-22-13-12-19(15-23(22)32-2)33(29,30)26-16-18-9-7-17(8-10-18)11-14-24(28)27-21-6-4-3-5-20(21)25/h3-15,26H,16,25H2,1-2H3,(H,27,28)/b14-11+
PDB
MMDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)

J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair