BDBM662039 2-chloro-N-(6-ethyl-5-((E)-2-(2-(((1r,4r)-4- (methylamino)cyclohexyl)amino)pyrimidin- 5-yl)vinyl)pyridin-2-yl)benzenesulfonamide::US11945784, Compound 47

SMILES CCc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)NC)nc1

InChI Key InChIKey=GEKKZNDFCYNXQJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 662039   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Cornell University

US Patent
LigandPNGBDBM662039(2-chloro-N-(6-ethyl-5-((E)-2-(2-(((1r,4r)-4- (meth...)
Affinity DataIC50: 1nMAssay Description:In vitro FRET assay was performed to evaluate the ability of select compounds to inhibit IRE1, the results of which are summarized in Table 3. To per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2024
Entry Details
Go to US Patent