BindingDB PrimarySearch

Found 9 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50035852'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE assessed as decrease in enzyme activity incubated for 30 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113286 BindingDB Entry DOI: 10.7270/Q2ZP49VN
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
Fourth Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.36E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase by Ellman's method				Bioorg Med Chem Lett 24: 5743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V
Institute of Pharmacology and Toxicology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.34E+5	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
Fourth Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reactivation of VX-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113286 BindingDB Entry DOI: 10.7270/Q2ZP49VN
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reactivation of sarin-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113286 BindingDB Entry DOI: 10.7270/Q2ZP49VN
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant				Bioorg Med Chem Lett 24: 5743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V
Institute of Pharmacology and Toxicology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant				Bioorg Med Chem Lett 24: 5743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V
Institute of Pharmacology and Toxicology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50035852 (HI-6) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of VX-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins f...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
Fourth Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)