BDBM50094630 5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::CHEMBL357207
SMILES: CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N
InChI Key: InChIKey=RSDNICWRHUAZOZ-UHFFFAOYSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.39 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase isolated from Human erythrocytes. | J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 39.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes | J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of butyrylcholinesterase (BChE) in human serum | J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B | |||||||||||
More data for this Ligand-Target Pair |