BDBM50315048 1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(piperazin-1-yl)phenyl)urea::CHEMBL1092391
SMILES: O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2
InChI Key: InChIKey=OLSXUWDWUPKCRO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315048 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)) | BDBM50315048
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C32H39N9O3/c42-32(35-23-5-7-24(8-6-23)39-15-13-33-14-16-39)34-22-3-1-21(2-4-22)29-36-30(40-25-9-10-26(40)18-43-17-25)38-31(37-29)41-27-11-12-28(41)20-44-19-27/h1-8,25-28,33H,9-20H2,(H2,34,35,42) | 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 | 947 | 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)) | BDBM50315048
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C32H39N9O3/c42-32(35-23-5-7-24(8-6-23)39-15-13-33-14-16-39)34-22-3-1-21(2-4-22)29-36-30(40-25-9-10-26(40)18-43-17-25)38-31(37-29)41-27-11-12-28(41)20-44-19-27/h1-8,25-28,33H,9-20H2,(H2,34,35,42) | 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 | 0.570 | 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 | |