BDBM50088466 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carboxylic acid methyl ester::CHEMBL309755

SMILES: COC(=O)C1=C2C=CC(C)C=C2c2nc(nn2C1)-c1ccccc1

InChI Key: InChIKey=YGLHJBDKPHKSPT-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088466   

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 A3 (Homo sapiens (Human))	BDBM50088466 (9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...) Show SMILES COC(=O)C1=C2C=CC(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10| Show InChI InChI=1S/C19H17N3O2/c1-12-8-9-14-15(10-12)18-20-17(13-6-4-3-5-7-13)21-22(18)11-16(14)19(23)24-2/h3-10,12H,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair