BDBM50507209 CHEMBL4537101
SMILES: COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1
InChI Key: InChIKey=DUUYHLUSDHATNS-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 |
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Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50507209 (CHEMBL4537101) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method | Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50507209 (CHEMBL4537101) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ Curated by ChEMBL | Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins | Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50507209 (CHEMBL4537101) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ Curated by ChEMBL | Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at ... | Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 | |||||||||||
More data for this Ligand-Target Pair |