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SMILES: Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1

InChI Key: InChIKey=DFNCCBYZMPHKDD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50491111   

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))	BDBM50491111 (CHEMBL2377233) Show SMILES Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1 Show InChI InChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50491111 (CHEMBL2377233) Show SMILES Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1 Show InChI InChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in CHOK1 cells assessed as inhibition of R-PIA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair