BDBM50315061 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea::CHEMBL1091348
SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2
InChI Key: InChIKey=WMKLUVRZTYMYLT-BQEUZBSESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315061 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)) | BDBM50315061
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C32H41N9O3/c1-22-19-43-18-17-40(22)30-35-29(36-31(37-30)41-27-11-12-28(41)21-44-20-27)23-3-5-24(6-4-23)33-32(42)34-25-7-9-26(10-8-25)39-15-13-38(2)14-16-39/h3-10,22,27-28H,11-21H2,1-2H3,(H2,33,34,42)/t22-,27?,28?/m1/s1 | 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 | 665 | 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)) | BDBM50315061
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C32H41N9O3/c1-22-19-43-18-17-40(22)30-35-29(36-31(37-30)41-27-11-12-28(41)21-44-20-27)23-3-5-24(6-4-23)33-32(42)34-25-7-9-26(10-8-25)39-15-13-38(2)14-16-39/h3-10,22,27-28H,11-21H2,1-2H3,(H2,33,34,42)/t22-,27?,28?/m1/s1 | 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 | 1.20 | 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 | |