BDBM50315064 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(piperazin-1-yl)phenyl)urea::CHEMBL1091351
SMILES: O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)C1CCOCC1
InChI Key: InChIKey=NHZTZOWHFHJNQD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315064 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)) | BDBM50315064
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)C1CCOCC1 Show InChI InChI=1S/C31H38N8O3/c40-31(34-24-5-7-25(8-6-24)38-15-13-32-14-16-38)33-23-3-1-21(2-4-23)28-35-29(22-11-17-41-18-12-22)37-30(36-28)39-26-9-10-27(39)20-42-19-26/h1-8,22,26-27,32H,9-20H2,(H2,33,34,40) | 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 | 294 | 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)) | BDBM50315064
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)C1CCOCC1 Show InChI InChI=1S/C31H38N8O3/c40-31(34-24-5-7-25(8-6-24)38-15-13-32-14-16-38)33-23-3-1-21(2-4-23)28-35-29(22-11-17-41-18-12-22)37-30(36-28)39-26-9-10-27(39)20-42-19-26/h1-8,22,26-27,32H,9-20H2,(H2,33,34,40) | 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 | 0.540 | 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 | |