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BDBM50394168 CHEMBL2158852

SMILES: C1CN(CCO1)c1cc(ccn1)-c1ccnc(Nc2ccccc2)n1

InChI Key: InChIKey=DTSPPRSFKBTQDO-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50394168   
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 SMG1


(Homo sapiens (Human))
BDBM50394168
PNG
(CHEMBL2158852)
Show SMILES C1CN(CCO1)c1cc(ccn1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H19N5O/c1-2-4-16(5-3-1)22-19-21-9-7-17(23-19)15-6-8-20-18(14-15)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50394168
PNG
(CHEMBL2158852)
Show SMILES C1CN(CCO1)c1cc(ccn1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H19N5O/c1-2-4-16(5-3-1)22-19-21-9-7-17(23-19)15-6-8-20-18(14-15)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
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>4.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair