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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 = 'BDBM489230'   
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))
BDBM489230
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCCC2=O)nc1C |r|
Show InChI InChI=1S/C28H31N5O4S2/c1-16-26(38-28(29-16)31-22-7-6-8-23(30-22)32-12-5-4-9-24(32)34)19-13-20-15-33(17(2)18-10-11-18)27(35)25(20)21(14-19)39(3,36)37/h6-8,13-14,17-18H,4-5,9-12,15H2,1-3H3,(H,29,30,31)/t17-/m0/s1
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 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM489230
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCCC2=O)nc1C |r|
Show InChI InChI=1S/C28H31N5O4S2/c1-16-26(38-28(29-16)31-22-7-6-8-23(30-22)32-12-5-4-9-24(32)34)19-13-20-15-33(17(2)18-10-11-18)27(35)25(20)21(14-19)39(3,36)37/h6-8,13-14,17-18H,4-5,9-12,15H2,1-3H3,(H,29,30,31)/t17-/m0/s1
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in anti-IgM-stimulated human JeKo-1 cells assessed as inhibition of AKT phosphorylation at Ser473 residue incubated for 60 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair