BDBM19187 (2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl)amino]propanamide::CHEMBL396778::SAG::Safinamide::US9051240, (S)-(+)-2-[4-(3-Fluorobenzyloxy)-benzylamino]-propanamide
SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChI Key InChIKey=NEMGRZFTLSKBAP-LBPRGKRZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 74 hits for monomerid = 19187
Affinity DataKi: 2.30nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 2.30nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...More data for this Ligand-Target Pair
Affinity DataKi: 5.40nMAssay Description:Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...More data for this Ligand-Target Pair
Affinity DataKi: 17nMAssay Description:Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...More data for this Ligand-Target Pair
Affinity DataKi: 450nM ΔG°: -8.65kcal/molepH: 7.5 T: 2°CAssay Description:MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring ...More data for this Ligand-Target Pair
Affinity DataKi: 3.65E+5nM ΔG°: -4.69kcal/molepH: 7.5 T: 2°CAssay Description:MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMpH: 7.4Assay Description:The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...More data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
University Of North Carolina
Curated by ChEMBL
University Of North Carolina
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of tetrodotoxin-sensitive Na+ channel by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
University Of North Carolina
Curated by ChEMBL
University Of North Carolina
Curated by ChEMBL
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of tetrodotoxin-sensitive Na+ channel at -50 mV membrane holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
Affinity DataIC50: 98nMAssay Description:Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 9nMAssay Description:Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 minsMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataIC50: 5.80E+5nMAssay Description:Inhibition of rat brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulphate substrate after 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of human brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulphate substrate after 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 5.20nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrateMore data for this Ligand-Target Pair
Affinity DataEC50: 1.50E+4nMAssay Description:Inhibition of human recombinant soluble MAO-B assessed as thermal shift after 20 mins by SYPRO orange staining-based fluorescence assayMore data for this Ligand-Target Pair
Affinity DataKd: 187nMAssay Description:Binding affinity to human recombinant microsomal MAO-B by ITCMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataIC50: 5.80E+5nMAssay Description:Inhibition of rat brain mitochondria MAOA by radioenzymatic assayMore data for this Ligand-Target Pair
Affinity DataIC50: 98nMAssay Description:Inhibition of rat brain mitochondria MAOB by radioenzymatic assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by Amplex red based spectrophotometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 112nMAssay Description:Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decre...More data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by flu...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Affinity DataIC50: 17nMAssay Description:Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 53nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...More data for this Ligand-Target Pair
Affinity DataIC50: 21nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...More data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using benzylamine as substrate preincubated for 1 h...More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using tyramine as substrate preincubated for 1 hr f...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2...More data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using...More data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant human MAOB expressed in insect cell microsomes using kynuramine as substrate measured after 20 mins by fluorescence spectro...More data for this Ligand-Target Pair
Affinity DataIC50: 7.70nMAssay Description:Inhibition of human MAO-BMore data for this Ligand-Target Pair
Affinity DataIC50: 7.70nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to sub...More data for this Ligand-Target Pair
Affinity DataIC50: 26nMAssay Description:Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrat...More data for this Ligand-Target Pair
Affinity DataIC50: 5.10nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...More data for this Ligand-Target Pair
Affinity DataIC50: 2.59E+4nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...More data for this Ligand-Target Pair
Affinity DataIC50: 7.70nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by subst...More data for this Ligand-Target Pair
Affinity DataIC50: 9nMAssay Description:Reversible inhibition of human MAOBMore data for this Ligand-Target Pair
Affinity DataIC50: >2.59E+4nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...More data for this Ligand-Target Pair
Affinity DataIC50: 5.20nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...More data for this Ligand-Target Pair
Affinity DataIC50: 5.10nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...More data for this Ligand-Target Pair