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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 = 'BDBM50436462'   
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))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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 770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair