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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' and Ligand = 'BDBM489234'   
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))
BDBM489234
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(3-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
Show InChI InChI=1S/C27H29N5O5S2/c1-15-25(38-27(28-15)30-21-5-4-6-22(29-21)31-9-10-37-14-23(31)33)18-11-19-13-32(16(2)17-7-8-17)26(34)24(19)20(12-18)39(3,35)36/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,28,29,30)/t16-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM489234
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(3-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
Show InChI InChI=1S/C27H29N5O5S2/c1-15-25(38-27(28-15)30-21-5-4-6-22(29-21)31-9-10-37-14-23(31)33)18-11-19-13-32(16(2)17-7-8-17)26(34)24(19)20(12-18)39(3,35)36/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,28,29,30)/t16-/m0/s1
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UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...


US Patent US10961236 (2021)


BindingDB Entry DOI: 10.7270/Q2M90CS5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM489234
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(3-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
Show InChI InChI=1S/C27H29N5O5S2/c1-15-25(38-27(28-15)30-21-5-4-6-22(29-21)31-9-10-37-14-23(31)33)18-11-19-13-32(16(2)17-7-8-17)26(34)24(19)20(12-18)39(3,35)36/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,28,29,30)/t16-/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 7.90n/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