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BDBM50365877 CHEMBL1957865

SMILES: Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F

InChI Key: InChIKey=CPOSSPYZTUNDSV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50365877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50365877
PNG
(CHEMBL1957865)
Show SMILES Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(25)11-16(23-18(26)27)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3
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PC cid
PC sid
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n/an/a 32n/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))
BDBM50365877
PNG
(CHEMBL1957865)
Show SMILES Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(25)11-16(23-18(26)27)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3
PDB
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Article
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n/an/a>4.00E+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))
BDBM50365877
PNG
(CHEMBL1957865)
Show SMILES Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(25)11-16(23-18(26)27)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3
PDB
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UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/a>7.90E+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))
BDBM50365877
PNG
(CHEMBL1957865)
Show SMILES Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(25)11-16(23-18(26)27)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/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