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SMILES: CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=HCDQNNHFLOPNLM-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 = 50457968   
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 gamma isoform


(Homo sapiens (Human))
BDBM50457968
PNG
(CHEMBL4207750)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)
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n/an/a 3.56E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457968
PNG
(CHEMBL4207750)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)
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n/an/a 2.40n/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 alpha isoform


(Homo sapiens (Human))
BDBM50457968
PNG
(CHEMBL4207750)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)
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n/an/a 317n/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 delta isoform


(Homo sapiens (Human))
BDBM50457968
PNG
(CHEMBL4207750)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)
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n/an/a 8.67E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50457968
PNG
(CHEMBL4207750)
Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)
PDB
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UniChem
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n/an/a 9.41E+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