BDBM50377460 CHEMBL410498

SMILES: FC(F)(F)c1nc(C(=O)c2ccco2)c2sccc2n1

InChI Key: InChIKey=JMOAKXAKAJITNV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377460   

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))	BDBM50377460 (CHEMBL410498) Show SMILES FC(F)(F)c1nc(C(=O)c2ccco2)c2sccc2n1 Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2916-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377460 (CHEMBL410498) Show SMILES FC(F)(F)c1nc(C(=O)c2ccco2)c2sccc2n1 Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	471	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 Binding affinity to human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2916-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25
					More data for this Ligand-Target Pair