BDBM50254354 3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL459322

SMILES: CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N

InChI Key: InChIKey=OXXOYGRTPFHQAA-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 = 50254354   

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))	BDBM50254354 (3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,...) Show SMILES CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22)	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	1.5	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))	BDBM50254354 (3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,...) Show SMILES CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	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))	BDBM50254354 (3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,...) Show SMILES CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	251	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))	BDBM50254354 (3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,...) Show SMILES CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	397	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