BDBM50312891 3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-ylbenzo[d][1,3]dioxol-5-ylcarbamate::CHEMBL1081970
SMILES: CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc4OCOc4c3)ccc12
InChI Key: InChIKey=MRJHBGPWEXJNDQ-XCZPVHLTSA-N
Data: 2 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 (Mus musculus (mouse)) | BDBM50312891 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method | Bioorg Med Chem Lett 20: 1721-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.035 BindingDB Entry DOI: 10.7270/Q27S7NWW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (Mus musculus (Mouse)) | BDBM50312891 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method | Bioorg Med Chem Lett 20: 1721-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.035 BindingDB Entry DOI: 10.7270/Q27S7NWW | |||||||||||
More data for this Ligand-Target Pair |