BDBM50318705 CHEMBL1086184::Methyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
SMILES: COC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
InChI Key: InChIKey=FQFLQQWHOCNXQY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50318705 (CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Autonoma de Madrid Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE by Ellman's method | J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50318705 (CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Autonoma de Madrid Curated by ChEMBL | Assay Description Inhibition of electric eel AChE by Ellman's method | J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50318705 (CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Autonoma de Madrid Curated by ChEMBL | Assay Description Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader | J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50318705 (CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Autonoma de Madrid Curated by ChEMBL | Assay Description Inhibition of AChE in human erythrocytes by Ellman's method | J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV | |||||||||||
More data for this Ligand-Target Pair |