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BDBM50360024 CHEMBL1928541

SMILES: CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O

InChI Key: InChIKey=XMUMBKFOUOBSOO-VXLYETTFSA-N

Data: 8 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 8 hits for monomerid = 50360024   
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))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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UniChem

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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110delta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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UniChem

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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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PC sid
UniChem

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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110delta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair