BDBM50428119 CHEMBL2331658::US8791131, 133
SMILES: COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@@H](CC4)OCCO)c3c2n1
InChI Key: InChIKey=FSVNGKNQJXMWJY-QAQDUYKDSA-N
Data: 3 KI
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)) | BDBM50428119 (CHEMBL2331658 | US8791131, 133) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.5 | -12.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer Inc. US Patent | Assay Description Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v... | US Patent US8791131 (2014) BindingDB Entry DOI: 10.7270/Q23B5XV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50428119 (CHEMBL2331658 | US8791131, 133) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of mTOR (unknown origin) | ACS Med Chem Lett 4: 91-7 (2013) Article DOI: 10.1021/ml300309h BindingDB Entry DOI: 10.7270/Q2HX1F0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50428119 (CHEMBL2331658 | US8791131, 133) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4.71 | -11.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Pfizer Inc. US Patent | Assay Description Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete... | US Patent US8791131 (2014) BindingDB Entry DOI: 10.7270/Q23B5XV8 | |||||||||||
More data for this Ligand-Target Pair |