BDBM412059 US10392391, Compound I-G-31::US10787452, Compound I-G-31::US11117900, Compound I-G-31::US11370798, Cmpd. # I-G-31::US20230271963, Compound I-G-31

SMILES CN(C)CCN(C)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12

InChI Key InChIKey=XGHFPRWXRBAUGL-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 = 412059   

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

US Patent
LigandPNGBDBM412059(US10392391, Compound I-G-31 | US10787452, Compound...)
Affinity DataKi:  505nMAssay 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 InfoSimilars
In Depth
Date in BDB:
5/11/2021
Entry Details
US Patent

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

US Patent
LigandPNGBDBM412059(US10392391, Compound I-G-31 | US10787452, Compound...)
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 InfoSimilars
In Depth
Date in BDB:
7/20/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM412059(US10392391, Compound I-G-31 | US10787452, Compound...)
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 InfoSimilars
In Depth
Date in BDB:
2/26/2022
Entry Details
US Patent

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

US Patent
LigandPNGBDBM412059(US10392391, Compound I-G-31 | US10787452, Compound...)
Affinity DataKi:  550nMAssay 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 InfoSimilars
In Depth
Date in BDB:
9/25/2022
Entry Details
US Patent

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

US Patent
LigandPNGBDBM412059(US10392391, Compound I-G-31 | US10787452, Compound...)
Affinity DataKi:  3.00E+3nMAssay 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 InfoSimilars
In Depth
Date in BDB:
10/16/2023
Entry Details
US Patent