BDBM203835 (2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one (3h)
SMILES: COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
InChI Key: InChIKey=MLSDMCQPTYDHPD-ZRDIBKRKSA-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 (Electrophorus electricus (Electric eel)) | BDBM203835 ((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Wuhan University of Technology | Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh... | Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM203835 ((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.89E+4 | n/a | n/a | n/a | n/a | 7.4 | 38 |
Wuhan University of Technology | Assay Description A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C... | Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM203835 ((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.4 | 38 |
Wuhan University of Technology | Assay Description A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C... | Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM203835 ((2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Wuhan University of Technology | Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh... | Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65 | |||||||||||
More data for this Ligand-Target Pair |