BDBM92907 CHK1 compound 2

SMILES CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1

InChI Key InChIKey=MVMZWHAHBIJEDT-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 = 92907   

TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Pfizer

LigandPNGBDBM92907(CHK1 compound 2)
Affinity DataKi:  1.89E+3nM ΔG°:  -7.72kcal/molepH: 7.4 T: 2°CAssay Description:The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB