BDBM50088378 Afinitor::Afinitor Disperz::CHEBI:68478::EVEROLIMUS::Everolimus::RAD001::Zortress
SMILES: [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC
InChI Key: InChIKey=HKVAMNSJSFKALM-GKUWKFKPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel subunit Kv4.3 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.58E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of mTOR in HEK293 cells | J Med Chem 63: 10135-10157 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Binding affinity to mTOR FKBP12 site (unknown origin) | 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 | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50088378 (Afinitor | Afinitor Disperz | CHEBI:68478 | EVEROL...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair |