BDBM323304 US9630956, Compound I-41

SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C(F)(F)F)c(OC)c1

InChI Key InChIKey=AWKYRTKYOFKTFQ-UHFFFAOYSA-N

Data  1 KI

  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 = 323304   

TargetSerine/threonine-protein kinase ATR(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM323304(US9630956, Compound I-41)
Affinity DataKi: <5nMAssay Description:Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2019
Entry Details
US Patent