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SMILES: Cc1nc(N)nc(n1)-c1c(Nc2ccc3ncccc3c2)nc2ccccn12

InChI Key: InChIKey=YVIUPILOGILJPD-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 3 hits for monomerid = 50119610   
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))
BDBM50119610
PNG
(CHEMBL3618234)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccc3ncccc3c2)nc2ccccn12
Show InChI InChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-7-8-15-13(11-14)5-4-9-22-15/h2-11,25H,1H3,(H2,21,23,24,27)
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PC cid
PC sid
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Similars

PubMed
529n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50119610
PNG
(CHEMBL3618234)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccc3ncccc3c2)nc2ccccn12
Show InChI InChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-7-8-15-13(11-14)5-4-9-22-15/h2-11,25H,1H3,(H2,21,23,24,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>780n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by a...


Bioorg Med Chem Lett 25: 4136-42 (2015)


BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50119610
PNG
(CHEMBL3618234)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccc3ncccc3c2)nc2ccccn12
Show InChI InChI=1S/C20H16N8/c1-12-23-18(27-20(21)24-12)17-19(26-16-6-2-3-10-28(16)17)25-14-7-8-15-13(11-14)5-4-9-22-15/h2-11,25H,1H3,(H2,21,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 277n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair