BDBM50040347 CHEMBL142922::N-[1,3-Bis-cyclopropylmethyl-2,6-dioxo-7-(3,4,5-trimethoxy-benzyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-methoxy-benzenesulfonamide

SMILES: COc1ccc(cc1)S(=O)(=O)Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1Cc1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=WMLQDAQZJUFQHC-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 = 50040347   

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))	BDBM50040347 (CHEMBL142922 | N-[1,3-Bis-cyclopropylmethyl-2,6-di...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1Cc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H35N5O8S/c1-40-21-9-11-22(12-10-21)44(38,39)32-29-31-27-25(33(29)17-20-13-23(41-2)26(43-4)24(14-20)42-3)28(36)35(16-19-7-8-19)30(37)34(27)15-18-5-6-18/h9-14,18-19H,5-8,15-17H2,1-4H3,(H,31,32)	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	3.70E+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