null
SMILES: FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
InChI Key: InChIKey=LRLKPJBRGFJMKN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50306636 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)) | BDBM50306636
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H34FN7O4/c29-11-12-30-27(37)32-19-3-1-18(2-4-19)24-33-25(35-16-21-5-6-22(17-35)40-21)23-15-31-36(26(23)34-24)20-7-9-28(10-8-20)38-13-14-39-28/h1-4,15,20-22H,5-14,16-17H2,(H2,30,32,37) | 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 | 5.13E+3 | 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)) | BDBM50306636
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H34FN7O4/c29-11-12-30-27(37)32-19-3-1-18(2-4-19)24-33-25(35-16-21-5-6-22(17-35)40-21)23-15-31-36(26(23)34-24)20-7-9-28(10-8-20)38-13-14-39-28/h1-4,15,20-22H,5-14,16-17H2,(H2,30,32,37) | 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 | 0.220 | 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 | |