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BDBM50396299 CHEMBL2172488

SMILES: Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncn1C

InChI Key: InChIKey=CTXUPZKYBBQLJM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50396299   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396299
PNG
(CHEMBL2172488)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncn1C
Show InChI InChI=1S/C18H17N11/c1-10-22-16(26-18(19)23-10)15-17(24-13-5-6-21-27-13)25-14-4-3-11(8-29(14)15)12-7-20-9-28(12)2/h3-9H,1-2H3,(H2,21,24,27)(H2,19,22,23,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396299
PNG
(CHEMBL2172488)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncn1C
Show InChI InChI=1S/C18H17N11/c1-10-22-16(26-18(19)23-10)15-17(24-13-5-6-21-27-13)25-14-4-3-11(8-29(14)15)12-7-20-9-28(12)2/h3-9H,1-2H3,(H2,21,24,27)(H2,19,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 463n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by AlphaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair