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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50240326   
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 alpha isoform


(Homo sapiens (Human))
BDBM50240326
PNG
(CHEMBL4068727)
Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)
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Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged p110alpha/p85alpha expressed in Spodoptera frugiperda insect cells using PIP2 as substrate by H...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50240326
PNG
(CHEMBL4068727)
Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)
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KEGG

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PC cid
PC sid
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
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))
BDBM50240326
PNG
(CHEMBL4068727)
Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
166n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50240326
PNG
(CHEMBL4068727)
Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
253n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair