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SMILES: CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F

InChI Key: InChIKey=ZHTQEYBVQUWXBP-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 = 50365869   
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))
BDBM50365869
PNG
(CHEMBL1957858)
Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay


Bioorg Med Chem Lett 22: 2230-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50365869
PNG
(CHEMBL1957858)
Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by time-resolved FRET displacement assay


Bioorg Med Chem Lett 22: 2230-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50365869
PNG
(CHEMBL1957858)
Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by time-resolved FRET displacement assay


Bioorg Med Chem Lett 22: 2230-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50365869
PNG
(CHEMBL1957858)
Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3
PDB
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PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by time-resolved FRET displacement assay


Bioorg Med Chem Lett 22: 2230-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0
More data for this
Ligand-Target Pair