BDBM50047161 1,3,7-Trimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL26070

SMILES: Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=BCMGQGFLVPRKMC-BQYQJAHWSA-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 = 50047161   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50047161 (1,3,7-Trimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-d...) Show SMILES Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15N5O4/c1-18-12(8-7-10-5-4-6-11(9-10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50047161 (1,3,7-Trimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-d...) Show SMILES Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15N5O4/c1-18-12(8-7-10-5-4-6-11(9-10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair