null
SMILES: CNC(=O)Nc1ccc(cc1)-c1nc(N2C3CCC2COC3)c2cnn(CC(F)(F)F)c2n1
InChI Key: InChIKey=YKHJGTINLIVMSH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50300076 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)) | BDBM50300076
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(2...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2C3CCC2COC3)c2cnn(CC(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F3N7O2/c1-25-20(32)27-13-4-2-12(3-5-13)17-28-18-16(8-26-30(18)11-21(22,23)24)19(29-17)31-14-6-7-15(31)10-33-9-14/h2-5,8,14-15H,6-7,9-11H2,1H3,(H2,25,27,32) | 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 | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 52: 7942-5 (2009)
Article DOI: 10.1021/jm901415x BindingDB Entry DOI: 10.7270/Q2WM1DGH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50300076
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(2...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2C3CCC2COC3)c2cnn(CC(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F3N7O2/c1-25-20(32)27-13-4-2-12(3-5-13)17-28-18-16(8-26-30(18)11-21(22,23)24)19(29-17)31-14-6-7-15(31)10-33-9-14/h2-5,8,14-15H,6-7,9-11H2,1H3,(H2,25,27,32) | 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 | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Flag-tagged human mTOR by DELFIA method |
J Med Chem 52: 7942-5 (2009)
Article DOI: 10.1021/jm901415x BindingDB Entry DOI: 10.7270/Q2WM1DGH |
More data for this Ligand-Target Pair | |