BDBM42435 (4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate::(4-methylphenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate::4-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate::5-amino-2-phenyl-4-triazolecarboxylic acid (4-methylphenyl)methyl ester::5-amino-2-phenyl-triazole-4-carboxylic acid (4-methylbenzyl) ester::MLS000729082::SMR000307360::cid_1504749
SMILES: Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
InChI Key: InChIKey=XNMNQDOKBYKDCH-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method | J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate preincubated for 30 mins followe... | J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide Y receptor type 1 (Homo sapiens (Human)) | BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide Y receptor type 2 (Homo sapiens (Human)) | BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z | |||||||||||
More data for this Ligand-Target Pair |