BDBM50280626 8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-3-amine::8-chloro-10-azoniatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-3-amine::CHEMBL355740
SMILES: Nc1c2C3CCC(C3)c2nc2c(Cl)cccc12
InChI Key: InChIKey=NNGFBICBXZNRCM-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 (BChE) (Equus caballus (Horse)) | BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum | Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description In vitro inhibitory activity against human erythrocyte acetylcholinesterase | J Med Chem 47: 4471-82 (2004) Article DOI: 10.1021/jm049877p BindingDB Entry DOI: 10.7270/Q26974WJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 493 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay | Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay | Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS | |||||||||||
More data for this Ligand-Target Pair |