BDBM50394171 CHEMBL2158847
SMILES: NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)cc1
InChI Key: InChIKey=AOJSSOWZWDZCBX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50394171 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)) | BDBM50394171
(CHEMBL2158847)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-15(2-4-16)23-19-22-8-6-17(24-19)14-5-7-21-18(13-14)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H2,20,26,27)(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | 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)) | BDBM50394171
(CHEMBL2158847)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-15(2-4-16)23-19-22-8-6-17(24-19)14-5-7-21-18(13-14)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H2,20,26,27)(H,22,23,24) | 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 | >2.00E+4 | 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 | |