BDBM50045344 4-(1-Allyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::CHEMBL88584

SMILES: Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=CDMZOKMMANFJMU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50045344   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50045344 (4-(1-Allyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...) Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C16H16N4O5S/c1-4-9-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)10-5-7-11(8-6-10)26(23,24)25/h4-8H,1,9H2,2-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680				J Med Chem 36: 2639-44 (1993) BindingDB Entry DOI: 10.7270/Q2S75FDT
					More data for this Ligand-Target Pair