BDBM10597 (1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::7-chloro-15-ethyl-(1R,13S)-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine::CHEMBL143812::Huprine X::rac-huprine H7
SMILES: CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
InChI Key: InChIKey=QTPHSDHUHXUYFE-UHFFFAOYNA-N
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 |
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Cholinesterases (Homo sapiens (Human)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.0260 | -14.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena | Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c... | J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.0260 | -14.4 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mayo Clinic | Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we... | Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 120 | -9.43 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena | Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c... | J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibitory activity against human erythrocyte acetylcholinesterase | J Med Chem 47: 4471-82 (2004) Article DOI: 10.1021/jm049877p BindingDB Entry DOI: 10.7270/Q26974WJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.77 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of bovine erythrocyte AChE | J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM10597![]() ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description In vitro inhibitory activity against bovine acetylcholinesterase | J Med Chem 47: 4471-82 (2004) Article DOI: 10.1021/jm049877p BindingDB Entry DOI: 10.7270/Q26974WJ | |||||||||||
More data for this Ligand-Target Pair |