null

SMILES: CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1

InChI Key: InChIKey=KHMFSOLNZRDVII-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324990   

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))	BDBM50324990 (CHEMBL1221508 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C20H18N6OS/c1-2-26-24-19(23-25-26)18-17(15-11-7-4-8-12-15)22-20(28-18)21-16(27)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324990 (CHEMBL1221508 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C20H18N6OS/c1-2-26-24-19(23-25-26)18-17(15-11-7-4-8-12-15)22-20(28-18)21-16(27)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair