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BDBM50394892 CHEMBL2165051

SMILES: Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12

InChI Key: InChIKey=HQPMEVMEMPHSDM-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50394892   
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))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
PDB
MMDB

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PubMed
2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
PDB
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
PDB
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mTOR-mediated 4EBP1 phosphorylation after 90 mins by FRET assay


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair