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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 = 'BDBM50447085'   
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))
BDBM50447085
PNG
(CHEMBL3112853 | US9133168, Example 5d)
Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9n/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))
BDBM50447085
PNG
(CHEMBL3112853 | US9133168, Example 5d)
Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27)
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 10n/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