BDBM50394188 CHEMBL2158856
SMILES: CN1CCN(CC1)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
InChI Key: InChIKey=WWIORRXZBVZYMW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50394188 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394188
(CHEMBL2158856)Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H23N7O2S/c1-26-9-11-27(12-10-26)19-13-15(5-7-22-19)18-6-8-23-20(25-18)24-16-3-2-4-17(14-16)30(21,28)29/h2-8,13-14H,9-12H2,1H3,(H2,21,28,29)(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50394188
(CHEMBL2158856)Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H23N7O2S/c1-26-9-11-27(12-10-26)19-13-15(5-7-22-19)18-6-8-23-20(25-18)24-16-3-2-4-17(14-16)30(21,28)29/h2-8,13-14H,9-12H2,1H3,(H2,21,28,29)(H,23,24,25) | 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/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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