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BDBM50381157 CHEMBL2018360

SMILES: CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F

InChI Key: InChIKey=FDRLQAARBPYKTJ-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 = 50381157   
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 delta isoform


(Homo sapiens (Human))
BDBM50381157
PNG
(CHEMBL2018360)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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MMDB

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PC sid
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50381157
PNG
(CHEMBL2018360)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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PC sid
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50381157
PNG
(CHEMBL2018360)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50381157
PNG
(CHEMBL2018360)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair