BDBM50312816 (3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 4-isopropylphenylcarbamate::CHEMBL1081427
SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5cccnc5)CC[C@@]4(C)c3c2)cc1
InChI Key: InChIKey=IVUNVRNLNHSVHE-YTMVLYRLSA-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)) | BDBM50312816 ((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-...) | 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 | >1.00E+5 | 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: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (Mus musculus (Mouse)) | BDBM50312816 ((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | 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: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4 | |||||||||||
More data for this Ligand-Target Pair |