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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 = 'BDBM50004540'   
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))
BDBM50004540
PNG
(CHEMBL2216869 | US9670212, 2 3-[(6-amino-9H-purin-...)
Show SMILES CN(CC1CCCN1C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H28N8/c1-15-6-4-7-16-10-17(11-31-14-27-20-21(24)25-13-26-23(20)31)22(28-19(15)16)30(3)12-18-8-5-9-29(18)2/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H2,24,25,26)
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PC cid
PC sid
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US Patent
n/an/a<50n/an/an/an/an/an/a



Exelixis, Inc.

US Patent


Assay Description
Kinase activity is measured as the percent of ATP consumed following the kinase reaction using luciferase-luciferin-coupled chemiluminescence. Reacti...


US Patent US9670212 (2017)


BindingDB Entry DOI: 10.7270/Q27H1GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50004540
PNG
(CHEMBL2216869 | US9670212, 2 3-[(6-amino-9H-purin-...)
Show SMILES CN(CC1CCCN1C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H28N8/c1-15-6-4-7-16-10-17(11-31-14-27-20-21(24)25-13-26-23(20)31)22(28-19(15)16)30(3)12-18-8-5-9-29(18)2/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H2,24,25,26)
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<50n/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