BDBM50315054 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-(pyrrolidin-1-yl)ethoxy)phenyl)urea::CHEMBL1092397
SMILES: O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2
InChI Key: InChIKey=KUARKKJFJBPZHD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315054 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)) | BDBM50315054
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C34H42N8O4/c43-34(36-25-7-13-30(14-8-25)46-18-17-40-15-1-2-16-40)35-24-5-3-23(4-6-24)31-37-32(41-26-9-10-27(41)20-44-19-26)39-33(38-31)42-28-11-12-29(42)22-45-21-28/h3-8,13-14,26-29H,1-2,9-12,15-22H2,(H2,35,36,43) | 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 | 389 | 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)) | BDBM50315054
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C34H42N8O4/c43-34(36-25-7-13-30(14-8-25)46-18-17-40-15-1-2-16-40)35-24-5-3-23(4-6-24)31-37-32(41-26-9-10-27(41)20-44-19-26)39-33(38-31)42-28-11-12-29(42)22-45-21-28/h3-8,13-14,26-29H,1-2,9-12,15-22H2,(H2,35,36,43) | 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 | 0.800 | 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 | |