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SMILES: I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1

InChI Key: InChIKey=RZVHNWFWKMVRSL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50451378   

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 A3 (Homo sapiens (Human))	BDBM50451378 (CHEMBL39106) Show SMILES I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A3 receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50451378 (CHEMBL39106) Show SMILES I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A2A receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50451378 (CHEMBL39106) Show SMILES I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A1 receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair