BDBM50139868 4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::CHEMBL275987

SMILES: Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=CHPRNZLPZFCTIM-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 = 50139868   

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 A1 (Rattus norvegicus (rat))	BDBM50139868 (4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C12H10N4O5S/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)6-2-4-7(5-3-6)22(19,20)21/h2-5H,1H3,(H,13,14)(H,15,18)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations				J Med Chem 47: 1031-43 (2004) Article DOI: 10.1021/jm0310030 BindingDB Entry DOI: 10.7270/Q2J38S05
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50139868 (4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C12H10N4O5S/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)6-2-4-7(5-3-6)22(19,20)21/h2-5H,1H3,(H,13,14)(H,15,18)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes				J Med Chem 47: 1031-43 (2004) Article DOI: 10.1021/jm0310030 BindingDB Entry DOI: 10.7270/Q2J38S05
					More data for this Ligand-Target Pair