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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Perforin-1' and Ligand = 'BDBM50510947'   
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))
BDBM50510947
PNG
(CHEMBL4453871)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H19F3N4O4S2/c1-32-13-16-9-14(11-29-22(16)24(32)33)19-7-8-20(37-19)15-10-18(23(36-2)30-12-15)31-38(34,35)21-6-4-3-5-17(21)25(26,27)28/h3-12,31H,13H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 780n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin) assessed as reduction in perforin-mediated cell lysis in human Jurkat T cells incubated for 30 mins by 51Cr r...


J Med Chem 63: 2229-2239 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00881
BindingDB Entry DOI: 10.7270/Q2GH9N80
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50510947
PNG
(CHEMBL4453871)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H19F3N4O4S2/c1-32-13-16-9-14(11-29-22(16)24(32)33)19-7-8-20(37-19)15-10-18(23(36-2)30-12-15)31-38(34,35)21-6-4-3-5-17(21)25(26,27)28/h3-12,31H,13H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.21E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin in human KHYG-1 cells pre-treated with compound for 20 mins assessed as reduction in KHYG-1 cells-mediated cell lysis of human...


J Med Chem 63: 2229-2239 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00881
BindingDB Entry DOI: 10.7270/Q2GH9N80
More data for this
Ligand-Target Pair