BDBM50312892 3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl hexylcarbamate::CHEMBL1080546
SMILES: CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
InChI Key: InChIKey=OXUOKFNDWUANFG-BDYUSTAISA-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)) | BDBM50312892 (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 | 970 | 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 | |||||||||||||
Cholinesterase (Mus musculus (Mouse)) | BDBM50312892 (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 | 14 | 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 |