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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 = 'BDBM50389048'   
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))
BDBM50389048
PNG
(CHEMBL2064417)
Show SMILES Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1
Show InChI InChI=1S/C22H19FN4O3/c23-15-6-7-16-22(21(15)14-4-2-1-3-5-14)26-20(30-16)12-17-24-18(13-19(28)25-17)27-8-10-29-11-9-27/h1-7,13H,8-12H2,(H,24,25,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50389048
PNG
(CHEMBL2064417)
Show SMILES Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1
Show InChI InChI=1S/C22H19FN4O3/c23-15-6-7-16-22(21(15)14-4-2-1-3-5-14)26-20(30-16)12-17-24-18(13-19(28)25-17)27-8-10-29-11-9-27/h1-7,13H,8-12H2,(H,24,25,28)
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 8n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair