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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50002306   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50456925
PNG
(CHEMBL4207150)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1
Show InChI InChI=1S/C27H27F2N5O5S/c1-38-26-24(32-40(36,37)25-6-4-20(28)15-22(25)29)14-19(16-30-26)18-3-5-23-21(13-18)27(35)34(17-31-23)8-2-7-33-9-11-39-12-10-33/h3-6,13-17,32H,2,7-12H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay


Eur J Med Chem 139: 95-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.074
BindingDB Entry DOI: 10.7270/Q2KH0QXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50341493
PNG
(CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...)
Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay


Eur J Med Chem 139: 95-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.074
BindingDB Entry DOI: 10.7270/Q2KH0QXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50456923
PNG
(CHEMBL4213353)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1
Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)
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n/an/a 93n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay


Eur J Med Chem 139: 95-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.074
BindingDB Entry DOI: 10.7270/Q2KH0QXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50456924
PNG
(CHEMBL4207685)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1
Show InChI InChI=1S/C27H28F2N6O5S/c1-39-27-22(33-41(37,38)24-5-4-20(28)14-21(24)29)13-19(15-32-27)18-3-6-25-31-16-23(35(25)17-18)26(36)30-7-2-8-34-9-11-40-12-10-34/h3-6,13-17,33H,2,7-12H2,1H3,(H,30,36)
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n/an/a 101n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay


Eur J Med Chem 139: 95-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.074
BindingDB Entry DOI: 10.7270/Q2KH0QXV
More data for this
Ligand-Target Pair