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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 = 'BDBM284874'   
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))
BDBM284874
PNG
(1-(4-(4-(4-amino-5-(1-(tetrahydro- 2H-pyran-4-yl)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C25H29N9O2/c1-17(35)31-8-10-32(11-9-31)23-14-18(2-6-27-23)22-15-20(24-25(26)28-16-30-34(22)24)21-3-7-29-33(21)19-4-12-36-13-5-19/h2-3,6-7,14-16,19H,4-5,8-13H2,1H3,(H2,26,28,30)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.525



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 US10023576 (2018)


BindingDB Entry DOI: 10.7270/Q2FQ9ZND
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM284874
PNG
(1-(4-(4-(4-amino-5-(1-(tetrahydro- 2H-pyran-4-yl)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C25H29N9O2/c1-17(35)31-8-10-32(11-9-31)23-14-18(2-6-27-23)22-15-20(24-25(26)28-16-30-34(22)24)21-3-7-29-33(21)19-4-12-36-13-5-19/h2-3,6-7,14-16,19H,4-5,8-13H2,1H3,(H2,26,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/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