null
SMILES: CCN(CC)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12
InChI Key: InChIKey=WARFAAVACUFFOT-QRQIAZFYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314319 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)) | BDBM50314319
((Z)-N,N-diethyl-1-(1-methyl-3-((3-oxo-5-(3-pyridin...)Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12 Show InChI InChI=1S/C33H35N7O4/c1-4-39(5-2)32(42)21-11-15-40(16-12-21)26-10-14-35-31-29(26)22(20-38(31)3)17-28-30(41)25-18-23(8-9-27(25)44-28)36-33(43)37-24-7-6-13-34-19-24/h6-10,13-14,17-21H,4-5,11-12,15-16H2,1-3H3,(H2,36,37,43)/b28-17- | 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 | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2259-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50314319
((Z)-N,N-diethyl-1-(1-methyl-3-((3-oxo-5-(3-pyridin...)Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12 Show InChI InChI=1S/C33H35N7O4/c1-4-39(5-2)32(42)21-11-15-40(16-12-21)26-10-14-35-31-29(26)22(20-38(31)3)17-28-30(41)25-18-23(8-9-27(25)44-28)36-33(43)37-24-7-6-13-34-19-24/h6-10,13-14,17-21H,4-5,11-12,15-16H2,1-3H3,(H2,36,37,43)/b28-17- | 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 | 115 | 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: 2259-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717 |
More data for this Ligand-Target Pair | |