BDBM50040360 8-Amino-1,3-bis-cyclopropylmethyl-7-(4-nitro-benzenesulfonyl)-3,7-dihydro-purine-2,6-dione::CHEMBL144656

SMILES: Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=YAZXYHMZIMSXGE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50040360   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50040360 (8-Amino-1,3-bis-cyclopropylmethyl-7-(4-nitro-benze...) Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H20N6O6S/c20-18-21-16-15(24(18)32(30,31)14-7-5-13(6-8-14)25(28)29)17(26)23(10-12-3-4-12)19(27)22(16)9-11-1-2-11/h5-8,11-12H,1-4,9-10H2,(H2,20,21)	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