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BDBM50389054 CHEMBL2064411

SMILES: O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1

InChI Key: InChIKey=WOUCSEYKFZVMNP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50389054   
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))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
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PubMed
n/an/a 7.75E+3n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kalpha expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as ...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
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Article
PubMed
n/an/a 373n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate p...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kgamma expressed in baculovirus infected insect sf9 cells using PI(4,5)P2 as substrate preincubated...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50389054
PNG
(CHEMBL2064411)
Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Sanofi Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair