BDBM50253987 3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL462488

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1

InChI Key: InChIKey=JIVWIVUKEAZKOR-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 = 50253987   

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))	BDBM50253987 (3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(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	2.30	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))	BDBM50253987 (3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	76	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 A2b (Homo sapiens (Human))	BDBM50253987 (3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(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	160	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50253987 (3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(H2,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	269	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