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BDBM50203696 CHEMBL3896413

SMILES: CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1

InChI Key:

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50203696   
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 alpha isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 218n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-beta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-alpha (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 669n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-beta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 698n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
More data for this
Ligand-Target Pair