BDBM50316286 CHEMBL1098301::Methyl{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}carbamate
SMILES: COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
InChI Key: InChIKey=BYTUZXFPQGUPIA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50316286 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)) | BDBM50316286
(CHEMBL1098301 | Methyl{4-[1-(1-Benzylpiperidin-4-y...)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1 Show InChI InChI=1S/C29H33N7O3/c1-38-29(37)31-23-9-7-22(8-10-23)26-32-27(35-15-17-39-18-16-35)25-19-30-36(28(25)33-26)24-11-13-34(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H,31,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 486 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50316286
(CHEMBL1098301 | Methyl{4-[1-(1-Benzylpiperidin-4-y...)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1 Show InChI InChI=1S/C29H33N7O3/c1-38-29(37)31-23-9-7-22(8-10-23)26-32-27(35-15-17-39-18-16-35)25-19-30-36(28(25)33-26)24-11-13-34(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H,31,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this Ligand-Target Pair | |