BDBM50040374 8-Amino-1,3-bis-cyclopropylmethyl-7-(3,4,5-trimethoxy-benzyl)-3,7-dihydro-purine-2,6-dione::CHEMBL355919

SMILES: COc1cc(Cn2c(N)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc(OC)c1OC

InChI Key: InChIKey=TVUCPPTUFFACBD-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 = 50040374   

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))	BDBM50040374 (8-Amino-1,3-bis-cyclopropylmethyl-7-(3,4,5-trimeth...) Show SMILES COc1cc(Cn2c(N)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc(OC)c1OC Show InChI InChI=1S/C23H29N5O5/c1-31-16-8-15(9-17(32-2)19(16)33-3)12-26-18-20(25-22(26)24)27(10-13-4-5-13)23(30)28(21(18)29)11-14-6-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3,(H2,24,25)	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	1.30E+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