BDBM82521 3,9-DimethylX::3,9-Dimethylxanthine::3,9-dimethyl-3,9-dihydro-1h-purine-2,6-dione

SMILES: Cn1cnc2c1n(C)c(=O)[nH]c2=O

InChI Key: InChIKey=HEOWZFHIJSYJIC-UHFFFAOYSA-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 = 82521   

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))	BDBM82521 (3,9-DimethylX | 3,9-Dimethylxanthine | 3,9-dimethy...) Show SMILES Cn1cnc2c1n(C)c(=O)[nH]c2=O Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM82521 (3,9-DimethylX | 3,9-Dimethylxanthine | 3,9-dimethy...) Show SMILES Cn1cnc2c1n(C)c(=O)[nH]c2=O Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM82521 (3,9-DimethylX | 3,9-Dimethylxanthine | 3,9-dimethy...) Show SMILES Cn1cnc2c1n(C)c(=O)[nH]c2=O Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair