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SMILES: CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1

InChI Key: InChIKey=KPFSIXJFIXKKJO-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 5 hits for monomerid = 50457969   
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 alpha isoform


(Homo sapiens (Human))
BDBM50457969
PNG
(CHEMBL4206585)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28)
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n/an/a 165n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA


Eur J Med Chem 146: 460-470 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.081
BindingDB Entry DOI: 10.7270/Q2NZ8B7G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50457969
PNG
(CHEMBL4206585)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28)
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n/an/a 4.94E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA


Eur J Med Chem 146: 460-470 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.081
BindingDB Entry DOI: 10.7270/Q2NZ8B7G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457969
PNG
(CHEMBL4206585)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA


Eur J Med Chem 146: 460-470 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.081
BindingDB Entry DOI: 10.7270/Q2NZ8B7G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457969
PNG
(CHEMBL4206585)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28)
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n/an/a 409n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...


Eur J Med Chem 146: 460-470 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.081
BindingDB Entry DOI: 10.7270/Q2NZ8B7G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50457969
PNG
(CHEMBL4206585)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA


Eur J Med Chem 146: 460-470 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.081
BindingDB Entry DOI: 10.7270/Q2NZ8B7G
More data for this
Ligand-Target Pair