BDBM50468679 CHEMBL4285912
SMILES: Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
InChI Key: InChIKey=AZLXAYYWUXDYQA-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50468679 (CHEMBL4285912) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50468679 (CHEMBL4285912) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50468679 (CHEMBL4285912) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured aft... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM50468679 (CHEMBL4285912) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50468679 (CHEMBL4285912) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50468679 (CHEMBL4285912) | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50468679 (CHEMBL4285912) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair |