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BDBM358029 7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US10214537, Example 98

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1

InChI Key: InChIKey=XNBJUATXKWRXPO-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 358029   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358029
PNG
(7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrah...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
Show InChI InChI=1S/C27H31N7O3/c28-26-25-22(23-4-7-30-33(23)21-5-10-35-11-6-21)15-24(34(25)31-18-29-26)19-2-1-3-20(14-19)27(16-37-17-27)32-8-12-36-13-9-32/h1-4,7,14-15,18,21H,5-6,8-13,16-17H2,(H2,28,29,31)
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US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358029
PNG
(7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrah...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
Show InChI InChI=1S/C27H31N7O3/c28-26-25-22(23-4-7-30-33(23)21-5-10-35-11-6-21)15-24(34(25)31-18-29-26)19-2-1-3-20(14-19)27(16-37-17-27)32-8-12-36-13-9-32/h1-4,7,14-15,18,21H,5-6,8-13,16-17H2,(H2,28,29,31)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 26: 4256-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.047
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358029
PNG
(7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrah...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
Show InChI InChI=1S/C27H31N7O3/c28-26-25-22(23-4-7-30-33(23)21-5-10-35-11-6-21)15-24(34(25)31-18-29-26)19-2-1-3-20(14-19)27(16-37-17-27)32-8-12-36-13-9-32/h1-4,7,14-15,18,21H,5-6,8-13,16-17H2,(H2,28,29,31)
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Article
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 26: 4256-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.047
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358029
PNG
(7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrah...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
Show InChI InChI=1S/C27H31N7O3/c28-26-25-22(23-4-7-30-33(23)21-5-10-35-11-6-21)15-24(34(25)31-18-29-26)19-2-1-3-20(14-19)27(16-37-17-27)32-8-12-36-13-9-32/h1-4,7,14-15,18,21H,5-6,8-13,16-17H2,(H2,28,29,31)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 26: 4256-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.047
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358029
PNG
(7-(3-(3-Morpholinooxetan-3-yl)phenyl)-5-(1-(tetrah...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
Show InChI InChI=1S/C27H31N7O3/c28-26-25-22(23-4-7-30-33(23)21-5-10-35-11-6-21)15-24(34(25)31-18-29-26)19-2-1-3-20(14-19)27(16-37-17-27)32-8-12-36-13-9-32/h1-4,7,14-15,18,21H,5-6,8-13,16-17H2,(H2,28,29,31)
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Article
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 26: 4256-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.047
More data for this
Ligand-Target Pair