BDBM50018674 CHEMBL3291017
SMILES: Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
InChI Key: InChIKey=CMDSWMANYVESRV-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50018674 (CHEMBL3291017) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ... | Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM50018674 (CHEMBL3291017) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure... | Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM50018674 (CHEMBL3291017) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi... | Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50018674 (CHEMBL3291017) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ... | Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK | |||||||||||
More data for this Ligand-Target Pair |