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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxylic ester hydrolase (Equus caballus (Horse)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Bar Ilan University Curated by ChEMBL | Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method | J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114606 BindingDB Entry DOI: 10.7270/Q2FJ2MW1 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Equus caballus (Horse)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Pharmaceutical Industries | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ... | J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine as substrate preincubated for 60 mins followed by substrate addition by Ell... | J Med Chem 63: 5625-5663 (2020) Article DOI: 10.1021/acs.jmedchem.9b01617 BindingDB Entry DOI: 10.7270/Q2CN77FZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114606 BindingDB Entry DOI: 10.7270/Q2FJ2MW1 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114606 BindingDB Entry DOI: 10.7270/Q2FJ2MW1 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bar Ilan University Curated by ChEMBL | Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method | J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Pharmaceutical Industries | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ... | J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition by Ellma... | J Med Chem 63: 5625-5663 (2020) Article DOI: 10.1021/acs.jmedchem.9b01617 BindingDB Entry DOI: 10.7270/Q2CN77FZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOB assessed as H2O2 production by Amplex Red reagent-based assay | J Med Chem 55: 8483-92 (2012) Article DOI: 10.1021/jm300978h BindingDB Entry DOI: 10.7270/Q29Z962V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Inhibition of human MAO-B | J Med Chem 63: 5625-5663 (2020) Article DOI: 10.1021/acs.jmedchem.9b01617 BindingDB Entry DOI: 10.7270/Q2CN77FZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every ... | J Med Chem 56: 5843-59 (2014) Article DOI: 10.1021/jm400567s BindingDB Entry DOI: 10.7270/Q2C53N8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of AChE in human erythrocytes preincubated for 60 mins followed by substrate addition by Ellman's method | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 BindingDB Entry DOI: 10.7270/Q27084PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human AchE | J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of MAOA | J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of MAO-A in rat brain using [14C]-5-hydroxytryptamine creatinine disulfate as substrate preincubated for 60 mins followed by substrate add... | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 BindingDB Entry DOI: 10.7270/Q27084PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE 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 |
St. John's University Curated by ChEMBL | Assay Description Inhibition of human MAO-A | J Med Chem 63: 5625-5663 (2020) Article DOI: 10.1021/acs.jmedchem.9b01617 BindingDB Entry DOI: 10.7270/Q2CN77FZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of MAO-B in rat brain using [14C]-phenylethylamine as substrate preincubated for 60 mins followed by substrate addition and measured after... | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 BindingDB Entry DOI: 10.7270/Q27084PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of MAOB | J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Pharmaceutical Industries | Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes.... | J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Pharmaceutical Industries | Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes.... | J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114606 BindingDB Entry DOI: 10.7270/Q2FJ2MW1 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat)) | BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich Heine University D£sseldorf Curated by ChEMBL | Assay Description Inhibition of rat brain MAO-B using [14C]-phenylethylamine as substrate preincubated for 60 mins followed by substrate addition and measured after 20... | Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.016 BindingDB Entry DOI: 10.7270/Q24B34RZ | |||||||||||
More data for this Ligand-Target Pair |