BDBM268079 2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine::US10772893, Example 111::US11529356, Example 111::US9549932, 111

SMILES C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key InChIKey=YBXRSCXGRPSTMW-UHFFFAOYSA-N

Data  1 KI  14 IC50  3 Kd

  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 18 hits for monomerid = 268079   

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7.24nMAssay Description:To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2021
Entry Details
Go to US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7.24nMAssay Description:For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7nMAssay Description:Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase RIO2(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataKd:  660nMAssay Description:Binding affinity to wild-type human partial length RIOK2 (M1 to D313 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-G-associated kinase(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataKd:  580nMAssay Description:Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataKd:  24nMAssay Description:Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 3.27E+3nMAssay Description:Inhibition of PI3Kbeta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine-protein kinase ATM(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of N-terminally FLAG-tagged recombinant full-length ATM (unknown origin) expressed in HEK239-6E cells using biotin-PEG2-SVEPPLSQETFSD as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 332nMAssay Description:Inhibition of DNA-PK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human ERG stably expressed in HEK293 cells at -80 mV by whole cell voltage clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 36nMAssay Description:Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7nMAssay Description:Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataIC50: 7.24nMpH: 7.0Assay Description:To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2018
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM268079(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Affinity DataKi:  7nMAssay Description:Binding affinity to ATR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed