null
SMILES: CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C)c2n1
InChI Key: InChIKey=APYPCVRCUBVUDW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50306622 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)) | BDBM50306622
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-me...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C)c2n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20(28)23-13-5-3-12(4-6-13)17-24-18-16(9-22-26(18)2)19(25-17)27-10-14-7-8-15(11-27)29-14/h3-6,9,14-15H,7-8,10-11H2,1-2H3,(H2,21,23,28) | 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 | 247 | 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: 1440-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50306622
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-me...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C)c2n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20(28)23-13-5-3-12(4-6-13)17-24-18-16(9-22-26(18)2)19(25-17)27-10-14-7-8-15(11-27)29-14/h3-6,9,14-15H,7-8,10-11H2,1-2H3,(H2,21,23,28) | 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 | 1.34 | 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: 1440-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T |
More data for this Ligand-Target Pair | |