BDBM50045343 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid tert-butyl ester::CHEMBL424433

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

InChI Key: InChIKey=AJUDZDYYJWKDLW-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 = 50045343   

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))	BDBM50045343 (3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	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 A1 (Rattus norvegicus (rat))	BDBM50045343 (3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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 A1 receptor from rat brain membranes using [3H]-PIA as radioligand				J Med Chem 36: 2639-44 (1993) BindingDB Entry DOI: 10.7270/Q2S75FDT
					More data for this Ligand-Target Pair