BDBM323312 5-(5-amino-6-(3-(3-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)-1-isopropylpyridin-2(1H)-one ::US9630956, Compound I-49

SMILES CNCc1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C

InChI Key InChIKey=ZPQFMHYWCJKKMN-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 = 323312   

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

US Patent
LigandPNGBDBM323312(5-(5-amino-6-(3-(3-((methylamino)methyl)phenyl)iso...)
Affinity DataKi:  27.5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent