BDBM50242664 CHEMBL455383::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-4-methoxybenzamide

SMILES: COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1

InChI Key: InChIKey=KDWCJCMSDPWPDB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50242664   

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 A1 (Rattus norvegicus (rat))	BDBM50242664 (CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50242664 (CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50242664 (CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair