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BDBM50245519 CHEMBL4088828

SMILES: CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12

InChI Key: InChIKey=LGBGHWVKSZPRCP-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 = 50245519   
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))
BDBM50245519
PNG
(CHEMBL4088828)
Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50245519
PNG
(CHEMBL4088828)
Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30)
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50245519
PNG
(CHEMBL4088828)
Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50245519
PNG
(CHEMBL4088828)
Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30)
PDB
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NCI pathway
Reactome pathway
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UniProtKB/TrEMBL

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair