BDBM50547968 CHEMBL4780489

SMILES c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N

InChI Key InChIKey=SKKINZODGXHKJJ-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50547968   

TargetSerine/threonine-protein kinase B-raf(Human)
Paraza Pharma

Curated by ChEMBL
LigandPNGBDBM50547968(CHEMBL4780489)
Affinity DataKi:  2.30nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50547968(CHEMBL4780489)
Affinity DataIC50: 200nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50547968(CHEMBL4780489)
Affinity DataIC50: 5.58E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)