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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform' and Ligand = 'BDBM50232451'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
Show InChI InChI=1/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+
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Article
PubMed
n/an/a 1.5n/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
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
Show InChI InChI=1/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+
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Article
US Patent
n/an/a 2n/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)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
Show InChI InChI=1/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/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
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair