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SMILES: OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1

InChI Key: InChIKey=AWIRBEHTBKVPOT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50395812   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50395812
PNG
(CHEMBL2165181)
Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...


Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50395812
PNG
(CHEMBL2165181)
Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28)
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 5.15E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...


Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair