BDBM323345 US9630956, Compound I-82

SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1

InChI Key InChIKey=BOSUBNIRCYPCBV-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 = 323345   

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

US Patent
LigandPNGBDBM323345(US9630956, Compound I-82)
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