BDBM412027 US10392391, Compound I-C-81::US10787452, Compound I-C-81::US11117900, Compound I-C-81::US11370798, Cmpd. # I-C-81::US20230271963, Compound I-C-81

SMILES COc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cncn1C

InChI Key InChIKey=DDQVHIOTRCLXJG-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 412027   

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

US Patent
LigandPNGBDBM412027(US10392391, Compound I-C-81 | US10787452, Compound...)
Affinity DataKi: <10nMAssay 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 Info
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM412027(US10392391, Compound I-C-81 | US10787452, Compound...)
Affinity DataKi: <10nMAssay Description:Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM412027(US10392391, Compound I-C-81 | US10787452, Compound...)
Affinity DataKi: <10nMAssay 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 Info
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM412027(US10392391, Compound I-C-81 | US10787452, Compound...)
Affinity DataKi: <100nMAssay Description:Table 5: Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out i...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM412027(US10392391, Compound I-C-81 | US10787452, Compound...)
Affinity DataKi:  600nMAssay 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 Info
In DepthDetails US Patent