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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Perforin-1' and Ligand = 'BDBM50275059'   
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))
BDBM50275059
PNG
((Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methyl-4-...)
Show SMILES Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1csc2ccccc12
Show InChI InChI=1S/C17H11NO2S2/c1-9-6-12-13(20-17(19)15(12)16(21)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,21)/b13-7-
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubation with Jurkat ce...


Bioorg Med Chem 19: 4091-100 (2011)


Article DOI: 10.1016/j.bmc.2011.05.013
BindingDB Entry DOI: 10.7270/Q2W66M48
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50275059
PNG
((Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methyl-4-...)
Show SMILES Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1csc2ccccc12
Show InChI InChI=1S/C17H11NO2S2/c1-9-6-12-13(20-17(19)15(12)16(21)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,21)/b13-7-
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/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