BDBM50040344 8-Amino-1,3-bis-cyclopropylmethyl-7-(propane-2-sulfonyl)-3,7-dihydro-purine-2,6-dione::CHEMBL439809

SMILES: CC(C)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12

InChI Key: InChIKey=MYLOBMKMTNGKLK-UHFFFAOYSA-N

Data: 2 IC50

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 = 50040344   

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))	BDBM50040344 (8-Amino-1,3-bis-cyclopropylmethyl-7-(propane-2-sul...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C16H23N5O4S/c1-9(2)26(24,25)21-12-13(18-15(21)17)19(7-10-3-4-10)16(23)20(14(12)22)8-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of adenosine binding to A1 receptorof rat brain homogenates				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50040344 (8-Amino-1,3-bis-cyclopropylmethyl-7-(propane-2-sul...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C16H23N5O4S/c1-9(2)26(24,25)21-12-13(18-15(21)17)19(7-10-3-4-10)16(23)20(14(12)22)8-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM.				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
					More data for this Ligand-Target Pair