BDBM50262339 11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7,8,9,10,12-octahydro-2H-dibenzo[b,g][1,8]naphthyridin-1-one::CHEMBL468000
SMILES: CC1(C)CC(=O)C2C(c3ccc(F)cc3)c3c(N)c4CCCCc4nc3N=C2C1
InChI Key: InChIKey=XPKDUOSYAVSWLD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50262339 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIC) Curated by ChEMBL | Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method | Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50262339 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7...) | PDB MMDB 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIC) Curated by ChEMBL | Assay Description Inhibition of human serum BuChE by Ellman's method | Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50262339 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIC) Curated by ChEMBL | Assay Description Inhibition of Electrophorus electricus AChE by spectrophotometry | Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50262339 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7...) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIC) Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE by Ellman's method | Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D | |||||||||||
More data for this Ligand-Target Pair |