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SMILES: O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1

InChI Key: InChIKey=VNMOCXVCBXMWMT-UHFFFAOYSA-N

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 4 hits for monomerid = 50393984   
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 gamma isoform


(Homo sapiens (Human))
BDBM50393984
PNG
(CHEMBL2158436)
Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)
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n/an/a 1.85E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma


Bioorg Med Chem Lett 22: 6665-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.101
BindingDB Entry DOI: 10.7270/Q27H1KPB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50393984
PNG
(CHEMBL2158436)
Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)
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n/an/a 93n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6665-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.101
BindingDB Entry DOI: 10.7270/Q27H1KPB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50393984
PNG
(CHEMBL2158436)
Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6665-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.101
BindingDB Entry DOI: 10.7270/Q27H1KPB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50393984
PNG
(CHEMBL2158436)
Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)
PDB
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta


Bioorg Med Chem Lett 22: 6665-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.101
BindingDB Entry DOI: 10.7270/Q27H1KPB
More data for this
Ligand-Target Pair