BDBM86776 Phthalonitrile analogue, 4e
SMILES: N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
InChI Key: InChIKey=HWZWTQAGSPYDRR-QPJJXVBHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM86776 (Phthalonitrile analogue, 4e) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 399 | n/a | n/a | n/a | n/a | 7.4 | -70 |
North-West University | Assay Description MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour... | Bioorg Chem 40: 114-24 (2012) Article DOI: 10.1016/j.bioorg.2011.10.003 BindingDB Entry DOI: 10.7270/Q2W66JB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM86776 (Phthalonitrile analogue, 4e) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/a |
Yaroslavl State Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis | Bioorg Med Chem Lett 25: 1206-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.061 BindingDB Entry DOI: 10.7270/Q2M32XDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM86776 (Phthalonitrile analogue, 4e) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
Yaroslavl State Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis | Bioorg Med Chem Lett 25: 1206-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.061 BindingDB Entry DOI: 10.7270/Q2M32XDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM86776 (Phthalonitrile analogue, 4e) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | 7.4 | -70 |
North-West University | Assay Description MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour... | Bioorg Chem 40: 114-24 (2012) Article DOI: 10.1016/j.bioorg.2011.10.003 BindingDB Entry DOI: 10.7270/Q2W66JB4 | |||||||||||
More data for this Ligand-Target Pair |