BDBM10959 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-(2-methylphenyl)carbamate::2-methylphenserine::tolserine::tolserine.tartaric acid
SMILES: [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C)ccc1N2C
InChI Key: InChIKey=JGAGHIIOCADQOV-CTNGQTDRSA-N
Data: 5 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM10959 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | 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 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM10959 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.95E+3 | 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 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10959 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of human AChE by Ellmans test | J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM10959 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.95E+3 | 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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10959 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | 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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV | |||||||||||
More data for this Ligand-Target Pair |