BDBM411492 US10392376, Example 45a::US10392376, Example 45b::US10800769, Example 45b::US11434233, Example 45a

SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@](C)(=O)C1COC1

InChI Key InChIKey=KYFDEZCOCVVHRB-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 411492   

TargetSerine/threonine-protein kinase ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 44nMMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 65nMAssay Description:Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 110nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/20/2020
Entry Details
US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 110nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
11/13/2022
Entry Details
US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 110nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent

TargetSerine/threonine-protein kinase ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 153nMMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 419nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/20/2020
Entry Details
US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 419nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent

TargetSerine/threonine-protein kinase Chk1(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 431nMAssay Description:Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent

TargetSerine/threonine-protein kinase mTOR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 2.98E+3nMMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 411492BDBM411492(US10392376, Example 45b | US10392376, Example 45a ...)
Affinity DataIC50: 8.24E+3nMMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed