BDBM50038738 CHEMBL292421::Heptyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester
SMILES: CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1
InChI Key: InChIKey=RNLWFDRAYXSZPJ-UHFFFAOYSA-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 (Homo sapiens (Human)) | BDBM50038738 (CHEMBL292421 | Heptyl-carbamic acid 9-ethyl-9-aza-...) | 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 | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against human acetylcholinesterase | J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Mus musculus (mouse)) | BDBM50038738 (CHEMBL292421 | Heptyl-carbamic acid 9-ethyl-9-aza-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibitory activity against acetylcholinesterase in mice at the dose of 4.4 mg/kg via intraperitoneal administration | J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H | |||||||||||
More data for this Ligand-Target Pair |