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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50232436   
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


(Homo sapiens (Human))
BDBM50232436
PNG
(CHEMBL4083625 | US10214537, Example 246)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(16-19(2)34(18)20(3)37)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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PC cid
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Patents

US Patent
n/an/a 1n/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)


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))
BDBM50232436
PNG
(CHEMBL4083625 | US10214537, Example 246)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(16-19(2)34(18)20(3)37)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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.40n/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