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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.3
BDBM50274960

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
Perforin-1


(Homo sapiens (Human))
BDBM50274960
PNG
((Z)-1-(Benzofuran-2-ylmethylene)-6-methyl-4-thioxo...)
Show SMILES Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1cc2ccccc2o1
Show InChI InChI=1S/C17H11NO3S/c1-9-6-12-14(21-17(19)15(12)16(22)18-9)8-11-7-10-4-2-3-5-13(10)20-11/h2-8H,1H3,(H,18,22)/b14-8-
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human Jurkat T cells by 51Cr release assay


J Med Chem 51: 7614-24 (2009)


Article DOI: 10.1021/jm801063n
BindingDB Entry DOI: 10.7270/Q24F1QK1
More data for this
Ligand-Target Pair