BDBM50315055 1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-hydroxyethoxy)phenyl)urea::CHEMBL1092398
SMILES: OCCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1
InChI Key: InChIKey=JIYAJGRQHOMQIB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315055 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315055
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES OCCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H35N7O5/c38-13-14-42-26-11-5-21(6-12-26)32-30(39)31-20-3-1-19(2-4-20)27-33-28(36-22-7-8-23(36)16-40-15-22)35-29(34-27)37-24-9-10-25(37)18-41-17-24/h1-6,11-12,22-25,38H,7-10,13-18H2,(H2,31,32,39) | 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 | 961 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2648-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315055
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES OCCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H35N7O5/c38-13-14-42-26-11-5-21(6-12-26)32-30(39)31-20-3-1-19(2-4-20)27-33-28(36-22-7-8-23(36)16-40-15-22)35-29(34-27)37-24-9-10-25(37)18-41-17-24/h1-6,11-12,22-25,38H,7-10,13-18H2,(H2,31,32,39) | 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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2648-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK |
More data for this Ligand-Target Pair | |