BDBM50014113 3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-ylmethylcarbamate::CHEMBL75729::Methyl-carbamic acid 3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester
SMILES: CNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
InChI Key: InChIKey=SUYCPJVAABOKNP-UNMCSNQZSA-N
Data: 7 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Homo sapiens (Human)) | BDBM50014113 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Inhibitory activity against Butyrylcholinesterase in cortex | J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50014113 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase in erythrocyte | J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50014113 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase in electric eel | J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50014113 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Inhibitory activity against Butyrylcholinesterase in plasma | J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Mus musculus (mouse)) | BDBM50014113 (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 | 170 | 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 | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50014113 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase in erythrocyte | J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Mus musculus (Mouse)) | BDBM50014113 (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 | 10 | 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 |