BDBM662031 2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamino)cyclohexyl)amino)pyrimidin- 5-yl)vinyl)-6-methoxypyridin-2-yl)-3- fluorobenzenesulfonamide::US11945784, Compound 39::US11945784, Compound 53

SMILES COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1

InChI Key InChIKey=XXXIBJIISKUTIK-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 662031   

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

US Patent
LigandPNGBDBM662031(US11945784, Compound 53 | 2-chloro-N-(5-((E)-2-(2-...)
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

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

US Patent
LigandPNGBDBM662031(US11945784, Compound 53 | 2-chloro-N-(5-((E)-2-(2-...)
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