BDBM50315070 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-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)urea::CHEMBL1091357
SMILES: CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
InChI Key: InChIKey=XPSDBVZHYGJDST-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315070 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)) | BDBM50315070
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1 Show InChI InChI=1S/C35H44N8O4/c1-41(2)28-13-17-42(18-14-28)33(44)25-5-9-27(10-6-25)37-35(45)36-26-7-3-23(4-8-26)31-38-32(24-15-19-46-20-16-24)40-34(39-31)43-29-11-12-30(43)22-47-21-29/h3-10,24,28-30H,11-22H2,1-2H3,(H2,36,37,45) | 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 | 77 | 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)) | BDBM50315070
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1 Show InChI InChI=1S/C35H44N8O4/c1-41(2)28-13-17-42(18-14-28)33(44)25-5-9-27(10-6-25)37-35(45)36-26-7-3-23(4-8-26)31-38-32(24-15-19-46-20-16-24)40-34(39-31)43-29-11-12-30(43)22-47-21-29/h3-10,24,28-30H,11-22H2,1-2H3,(H2,36,37,45) | 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 | 0.340 | 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 | |