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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 = 'BDBM50403063'   
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))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
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US Patent
n/an/a 4n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


US Patent US9321773 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NCG
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta assessed as inhibition of H2O2-induced AKT phosphorylation by cell-based assay


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair