BDBM50359397 CHEMBL1929419::US8999994, 4
SMILES: CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
InChI Key: InChIKey=BWQUMDSADVOLFZ-UHFFFAOYSA-N
Data: 8 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)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 310 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent | Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect... | US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent | Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect... | US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 8.22E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent | Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi... | US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ... | J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting | J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting | J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b... | J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM50359397 (CHEMBL1929419 | US8999994, 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 7.45E+5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent | Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi... | US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM | |||||||||||
More data for this Ligand-Target Pair |