BDBM420852 US10479784, Compound IIA-5::US10961232, Compound IIA-5

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN)cc1

InChI Key InChIKey=BLHDWFGAYUVFER-UHFFFAOYSA-N

Data  5 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 420852   

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

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, Compound ...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX phosphorylation by Hoechst staining-based immunofluorescence microscopi...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, Compound ...)
Affinity DataKi:  0.270nMAssay Description:Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, 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 InfoSimilars
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, 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 InfoSimilars
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetSerine-protein kinase ATM(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, Compound ...)
Affinity DataKi:  115nMAssay Description:Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420852(US10479784, Compound IIA-5 | US10961232, Compound ...)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed