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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Perforin-1' and Ligand = 'BDBM50445268'   
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))
BDBM50445268
PNG
(CHEMBL3103646)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C17H13N3O2S2/c21-15-12-3-1-10(7-9(12)5-6-18-15)14-4-2-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+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 [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Mus musculus)
BDBM50445268
PNG
(CHEMBL3103646)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C17H13N3O2S2/c21-15-12-3-1-10(7-9(12)5-6-18-15)14-4-2-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.19E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01338
BindingDB Entry DOI: 10.7270/Q28919XD
More data for this
Ligand-Target Pair