BDBM10586 3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-N-methylamino}propyl}amino}-7,11-methanocycloocta[b]quinoline trihydrochloride::CHEMBL2011487::Huprine-Tacrine Heterodimer 17d::[3-({7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-yl}amino)propyl](methyl)[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine trihydrochloride
SMILES: CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3
InChI Key: InChIKey=YFDJQAZBRSGJIT-UHFFFAOYSA-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)) | BDBM10586 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...) | 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 | 0.320 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universitat de Barcelona | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 1701-4 (2005) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q21N7ZB6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10586 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins b... | J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10586 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...) | 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 | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 m... | J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10586 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...) | 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 | 16.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 1701-4 (2005) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q21N7ZB6 | |||||||||||
More data for this Ligand-Target Pair |