BDBM50322848 3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine::CHEMBL1210734

SMILES: Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1

InChI Key: InChIKey=VKUZVOQBVAZHER-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 = 50322848   

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))	BDBM50322848 (3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1...) Show SMILES Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C13H10FN9/c14-9-4-2-1-3-8(9)5-22-11-10(20-21-22)12(19-13(15)18-11)23-7-16-6-17-23/h1-4,6-7H,5H2,(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50322848 (3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1...) Show SMILES Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C13H10FN9/c14-9-4-2-1-3-8(9)5-22-11-10(20-21-22)12(19-13(15)18-11)23-7-16-6-17-23/h1-4,6-7H,5H2,(H2,15,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2B receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50322848 (3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1...) Show SMILES Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C13H10FN9/c14-9-4-2-1-3-8(9)5-22-11-10(20-21-22)12(19-13(15)18-11)23-7-16-6-17-23/h1-4,6-7H,5H2,(H2,15,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A3 receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50322848 (3-(2-fluorobenzyl)-7-(1H-1,2,4-triazol-1-yl)-3H-[1...) Show SMILES Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C13H10FN9/c14-9-4-2-1-3-8(9)5-22-11-10(20-21-22)12(19-13(15)18-11)23-7-16-6-17-23/h1-4,6-7H,5H2,(H2,15,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A1 receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair