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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.3
BDBM50275030
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275030
PNG
((Z)-5-(2'-Methoxybenzylidene)-3-methyl-2-thioxothi...)
Show SMILES COc1ccccc1\C=C1/SC(=S)N(C)C1=O
Show InChI InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)16)7-8-5-3-4-6-9(8)15-2/h3-7H,1-2H3/b10-7-
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)


Article DOI: 10.1016/j.bmc.2008.11.032
BindingDB Entry DOI: 10.7270/Q2PZ58Q3
More data for this
Ligand-Target Pair