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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 beta isoform' and Ligand = 'BDBM50447083'   
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 beta isoform


(Homo sapiens (Human))
BDBM50447083
PNG
(CHEMBL3112855 | US9133168, Example 2d)
Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,25,26,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...


J Med Chem 57: 903-20 (2014)


Article DOI: 10.1021/jm401642q
BindingDB Entry DOI: 10.7270/Q2R212VJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50447083
PNG
(CHEMBL3112855 | US9133168, Example 2d)
Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,25,26,29)
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 24n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...


J Med Chem 57: 903-20 (2014)


Article DOI: 10.1021/jm401642q
BindingDB Entry DOI: 10.7270/Q2R212VJ
More data for this
Ligand-Target Pair