BDBM412060 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo pyrimidine-3-carboxamide ::US10392391, Compound I-G-32::US10787452, Compound I-G-32::US11117900, Compound I-G-32::US11370798, Cmpd. # I-G-32::US20230271963, Compound I-G-32

SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1

InChI Key InChIKey=QAYHKBLKSXWOEO-UHFFFAOYSA-N

Data  12 KI  1 IC50

  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 13 hits for monomerid = 412060   

TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
Affinity DataKi: <0.150nMAssay Description:Binding affinity to ATR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
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TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
Affinity DataKi: <0.200nMAssay Description:Binding affinity to ATR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
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In DepthDetails PubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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
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TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
Affinity DataKi: <20nMAssay Description:Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...More data for this Ligand-Target Pair
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In DepthDetails US Patent
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
Affinity DataKi: <200nMAssay Description:Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...More data for this Ligand-Target Pair
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In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
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 InfoPurchase
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Hubei Polytechnic University

Curated by ChEMBL
LigandPNGBDBM412060(2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...)
Affinity DataIC50:  8nMAssay Description:Inhibition of ATR (unknown origin)-driven CHK1 phosphorylationMore data for this Ligand-Target Pair
Ligand InfoPurchase
In DepthDetails PubMed