BDBM464792 US10787452, Compound I-C-6::US11117900, Compound I-C-6::US11370798, Cmpd. # I-C-6::US20230271963, Compound I-C-6

SMILES Nc1nn2cc(CC#N)cnc2c1C(=O)Nc1cnccc1-c1ccccc1

InChI Key InChIKey=SZOLDWSZIWMGBF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 464792   

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

US Patent
LigandPNGBDBM464792(US10787452, Compound I-C-6 | US11117900, 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
In Depth
Date in BDB:
2/26/2022
Entry Details
US Patent

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

US Patent
LigandPNGBDBM464792(US10787452, Compound I-C-6 | US11117900, 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
In Depth
Date in BDB:
5/11/2021
Entry Details
US Patent

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

US Patent
LigandPNGBDBM464792(US10787452, Compound I-C-6 | US11117900, 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
In Depth
Date in BDB:
9/25/2022
Entry Details
US Patent

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

US Patent
LigandPNGBDBM464792(US10787452, Compound I-C-6 | US11117900, 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
In Depth
Date in BDB:
10/16/2023
Entry Details
US Patent