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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4
BDBM50347920

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
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM50347920
PNG
(CHEMBL1802486)
Show SMILES O=C1NCc2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13
Show InChI InChI=1S/C24H17N3O2/c28-24-21-14(11-25-24)19-12-5-1-3-7-15(12)26-17-9-10-18(29-17)27-16-8-4-2-6-13(16)20(21)23(27)22(19)26/h1-8,17-18H,9-11H2,(H,25,28)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair