BDBM50182287 CHEMBL3818592

SMILES CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC

InChI Key InChIKey=VTJYENUZSYEIJD-UHFFFAOYSA-N

Data  1 KI

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 1 hit for monomerid = 50182287   

TargetSerine/threonine-protein kinase PAK 1(Human)
Shanghai Chempartner

Curated by ChEMBL
LigandPNGBDBM50182287(CHEMBL3818592)
Affinity DataKi:  4.60nMAssay Description:Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)