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SMILES: CN(CCCC(F)F)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
InChI Key:
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50585933 (CHEMBL5078658) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cholinesterase (Equus caballus (Horse)) | BDBM50585933 (CHEMBL5078658) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of horse serum BChE by Ellman's spectrophotometric assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Homo sapiens (Human)) | BDBM50585933 (CHEMBL5078658) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant AChE by Ellman's spectrophotometric assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
