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SMILES: Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1

InChI Key: InChIKey=YLXILPLJXMFTQF-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 4 hits for monomerid = 50495491   
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))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 144n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair