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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interferon-induced, double-stranded RNA-activated protein kinase' and Ligand = 'BDBM308054'   
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))
BDBM308054
PNG
(US10011593, Ex. 4 | US9650366, 4)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20F4N8O2S/c26-19-4-2-16(11-18(19)25(27,28)29)33-24(39)32-15-3-5-20-13(8-15)10-21(40-20)17-9-14(12-31-22(17)30)23-34-36-37(35-23)6-1-7-38/h2-5,8-12,38H,1,6-7H2,(H2,30,31)(H2,32,33,39)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
99n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Biochemical PDGFRβ kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg of poly-Glu-Tyr (4:1) in...


US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308054
PNG
(US10011593, Ex. 4 | US9650366, 4)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20F4N8O2S/c26-19-4-2-16(11-18(19)25(27,28)29)33-24(39)32-15-3-5-20-13(8-15)10-21(40-20)17-9-14(12-31-22(17)30)23-34-36-37(35-23)6-1-7-38/h2-5,8-12,38H,1,6-7H2,(H2,30,31)(H2,32,33,39)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 99n/an/an/an/an/an/a



Vertex



Assay Description
PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...


J Med Chem 52: 6362-8 (2009)


BindingDB Entry DOI: 10.7270/Q24J0HGV
More data for this
Ligand-Target Pair