BDBM50260308 CHEMBL4102122
SMILES: COc1cc2CCN(CC3CCN(Cc4cc(Cl)cc(\C=N\O)c4O)CC3)Cc2cc1OC
InChI Key: InChIKey=WTVUEIWJRGDCGL-UVHMKAGCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50260308 (CHEMBL4102122) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.62E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50260308 (CHEMBL4102122) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.37E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50260308 (CHEMBL4102122) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a |
Fourth Military Medical University Curated by ChEMBL | Assay Description Reactivation of tabun-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 | |||||||||||
More data for this Ligand-Target Pair |