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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 = 'BDBM50064294'   
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))
BDBM50064294
PNG
(CHEMBL3403674)
Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064294
PNG
(CHEMBL3403674)
Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair