BDBM50505416 CHEMBL4574759
SMILES: [H][C@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2
InChI Key: InChIKey=XGLUOINQAVYTEU-YMAMQOFZSA-N
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 |
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Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50505416 (CHEMBL4574759) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b... | J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
p110α/p85α (Homo sapiens (Human)) | BDBM50505416 (CHEMBL4574759) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.11E+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 Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ... | J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Target of rapamycin complex 2 subunit MAPKAP1 (Homo sapiens) | BDBM50505416 (CHEMBL4574759) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibition of mTORC2 in human A2058 cells assessed as reduction in PKB phosphorylation at S473 residues incubated for 1 hr by Western blot analysis | J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50505416 (CHEMBL4574759) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay | J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Target of rapamycin complex subunit LST8 (Homo sapiens) | BDBM50505416 (CHEMBL4574759) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibition of mTORC1 in human A2058 cells assessed as reduction in ribosomal protein S6 phosphorylation at Ser235/236 residues incubated for 1 hr by ... | J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 | |||||||||||
More data for this Ligand-Target Pair |