Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3 BDBM42435Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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-...) Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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-...) Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)	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 2 (Homo sapiens (Human))	BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)	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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)	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