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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50232454'   
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))
BDBM50232454
PNG
(CHEMBL4081103 | US10214537, Example 334)
Show SMILES CC(=O)N1CCN(C(=O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H28N8O3/c1-17(35)31-9-10-32(24(36)15-31)20-4-2-3-18(13-20)23-14-21(25-26(27)28-16-30-34(23)25)22-5-8-29-33(22)19-6-11-37-12-7-19/h2-5,8,13-14,16,19H,6-7,9-12,15H2,1H3,(H2,27,28,30)
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 5.5n/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


(Homo sapiens (Human))
BDBM50232454
PNG
(CHEMBL4081103 | US10214537, Example 334)
Show SMILES CC(=O)N1CCN(C(=O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H28N8O3/c1-17(35)31-9-10-32(24(36)15-31)20-4-2-3-18(13-20)23-14-21(25-26(27)28-16-30-34(23)25)22-5-8-29-33(22)19-6-11-37-12-7-19/h2-5,8,13-14,16,19H,6-7,9-12,15H2,1H3,(H2,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 6n/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