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BDBM50232430 CHEMBL4061855::US10214537, Example 262

SMILES: C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O

InChI Key: InChIKey=JHCGWQGKIHGVDU-KDURUIRLSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50232430   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in mouse spleen assessed suppression of CD86


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb

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 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 795n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

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 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair