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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3
BDBM50347915
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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))
BDBM50347915
PNG
(CHEMBL1802489)
Show SMILES COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CC1)C(N)=O
Show InChI InChI=1S/C16H18N6O2/c1-24-10-2-3-11-12(8-10)20-14-13(11)18-9-19-15(14)21-4-6-22(7-5-21)16(17)23/h2-3,8-9,20H,4-7H2,1H3,(H2,17,23)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/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