BDBM50197875 CHEMBL3910142
SMILES: Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12
InChI Key: InChIKey=DMOLFVGCLPCFQX-UHFFFAOYSA-N
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 (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Mixed-type inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins follow... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Mixed-type inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins fo... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 180 mins followed by substrate addition measured for 1 hr by hors... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 120 mins followed by substrate addition measured for 1 hr by hors... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.87E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 240 mins followed by substrate addition measured for 1 hr by hors... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 60 mins followed by substrate addition measured for 1 hr by horse... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOB using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50197875 (CHEMBL3910142) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and m... | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50197875 (CHEMBL3910142) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr by horse... | Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T | |||||||||||
More data for this Ligand-Target Pair |