BDBM329691 US9663519, Compound I-31

SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CNCC(C)(C)c3nc12

InChI Key InChIKey=PTXUXJCBOGSPGC-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329691   

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

US Patent
LigandPNGBDBM329691(US9663519, Compound I-31)
Affinity DataKi:  505nMAssay 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