BDBM50377462 CHEMBL265465

SMILES: OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F

InChI Key: InChIKey=DDCSPUVXAWCVQI-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 = 50377462   

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))	BDBM50377462 (CHEMBL265465) Show SMILES OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7,11,20H	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	3.06E+3	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))	BDBM50377462 (CHEMBL265465) Show SMILES OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7,11,20H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+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 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