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

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   

TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
University Hospital Hradec Kralove

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 DepthDetails PubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
University Hospital Hradec Kralove

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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
University Hospital Hradec Kralove

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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Bayer

Curated by ChEMBL
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 DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Bayer

Curated by ChEMBL
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 DepthDetails ArticlePubMed
TargetSerine-protein kinase ATM(Homo sapiens (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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase RIO2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Istituto Italiano Di Tecnologia

Curated by ChEMBL
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 DepthDetails ArticlePubMed
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Istituto Italiano Di Tecnologia

Curated by ChEMBL
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 DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
University Hospital Hradec Kralove

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 DepthDetails US Patent
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Istituto Italiano Di Tecnologia

Curated by ChEMBL
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 DepthDetails US Patent