BDBM50469461 CHEMBL4288210
SMILES: [H][C@@]12CN(c3nc(nc(n3)-c3cnc(N)cc3C(F)F)N3C[C@@]4([H])C[C@]3([H])CO4)[C@@]([H])(CO1)C2
InChI Key: InChIKey=MQZZAZDYXDOJJI-DDHJBXDOSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50469461![]() (CHEMBL4288210) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac... | J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human)) | BDBM50469461![]() (CHEMBL4288210) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay | J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 | |||||||||||
More data for this Ligand-Target Pair |