BDBM192719 KIRA analog, 1

SMILES CC(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12

InChI Key InChIKey=MEJKZYOOTMLMBA-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 192719   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1 [547-977](Homo sapiens (Human))
University of Washington

LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  1.30E+3nMpH: 7.5Assay Description:Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1 [547-977](Homo sapiens (Human))
University of Washington

LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  1.80E+3nMAssay Description:5′-Carboxyfluorescein (FAM)- and 3′-Black Hole Quencher (BHQ)-labeled XBP1 single stemloop mini-substrate (5′FAM-CUGAGUCCGCAGCACUCA...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  400nMAssay Description:Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  450nMAssay Description:Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  760nMAssay Description:Inhibition of tunicamycin-induced IRE1alpha (unknown origin) expressed in HEK293 cells assessed as reduction in IRE1alpha-dependent splicing of XBP1u...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM192719(KIRA analog, 1)
Affinity DataIC50:  290nMAssay Description:Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed