BDBM10610 (3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-ethylcarbamate::CHEMBL361409::Physostigmine Carbamate 16a
SMILES: CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
InChI Key: InChIKey=FDRUOIJOXDAUQN-WMCAAGNKSA-N
Data: 4 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)) | BDBM10610 ((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 94 | n/a | n/a | n/a | n/a | 8.0 | 37 |
National Institutes of Health | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ... | J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10610 ((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Aging Curated by ChEMBL | Assay Description Inhibitory concentration against human plasma Butyrylcholinesterase | J Med Chem 48: 986-94 (2005) Article DOI: 10.1021/jm049309+ BindingDB Entry DOI: 10.7270/Q2TM7BWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10610 ((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Aging Curated by ChEMBL | Assay Description Inhibitory concentration against human erythrocyte Acetylcholinesterase | J Med Chem 48: 986-94 (2005) Article DOI: 10.1021/jm049309+ BindingDB Entry DOI: 10.7270/Q2TM7BWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10610 ((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ... | J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6 | |||||||||||
More data for this Ligand-Target Pair |