BDBM411655 US10392391, Compound I-N-84::US10787452, Compound I-N-84::US11117900, Compound I-N-84::US11370798, Cmpd. # I-N-84::US20230271963, Compound I-N-84

SMILES Nc1nn2cc(CC#N)cnc2c1C(=O)Nc1cnccc1N1CCCCC1

InChI Key InChIKey=XQHFANFKTNLFLF-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 = 411655   

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

US Patent
LigandPNGBDBM411655(US10392391, Compound I-N-84 | 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
LigandPNGBDBM411655(US10392391, Compound I-N-84 | 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
LigandPNGBDBM411655(US10392391, Compound I-N-84 | 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
LigandPNGBDBM411655(US10392391, Compound I-N-84 | 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
LigandPNGBDBM411655(US10392391, Compound I-N-84 | 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