BDBM50254003 7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL443665

SMILES: COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1

InChI Key: InChIKey=BBLIPTCQCVIILX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50254003   

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))	BDBM50254003 (7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo...) Show SMILES COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50254003 (7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo...) Show SMILES COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50254003 (7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo...) Show SMILES COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50254003 (7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo...) Show SMILES COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair