null
SMILES: CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
InChI Key: InChIKey=QLHHRYZMBGPBJG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50306633 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)) | BDBM50306633
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.18E+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)) | BDBM50306633
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.210 | 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 | |