BDBM92551 Coumarin analogue, 3i
SMILES: CN(C)c1ccc(CN=Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
InChI Key: InChIKey=XSUXWRDJJVHACF-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Homo sapiens (Human)) | BDBM92551 (Coumarin analogue, 3i) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COMSATS Institute of Information Technology | Assay Description Inhibition assay using AChE and BuChE. | Chem Biol Drug Des 80: 605-15 (2012) Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM92551 (Coumarin analogue, 3i) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COMSATS Institute of Information Technology | Assay Description Inhibition assay using AChE and BuChE. | Chem Biol Drug Des 80: 605-15 (2012) Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T | |||||||||||
More data for this Ligand-Target Pair |