BDBM50037430 (E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid::3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid anion::CHEMBL92364

SMILES: Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=DIPYUSYJTRLJJR-SNAWJCMRSA-N

Data: 3 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 3 hits for monomerid = 50037430   

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))	BDBM50037430 ((E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydr...) Show SMILES Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+4	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 Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50037430 ((E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydr...) Show SMILES Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+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
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50037430 ((E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydr...) Show SMILES Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+5	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 Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair