BDBM50059035 3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-purine-2,6-dione::3-Isobutyl-8-methoxymethyl-1-methyl-3,9-dihydro-purine-2,6-dione::3-isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione::CHEMBL307639

SMILES: COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1

InChI Key: InChIKey=NBLBCGUCPBXKOV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50059035   

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
Heart phosphodiesterase (Bos taurus)	BDBM50059035 (3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...) Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart				J Med Chem 40: 2196-210 (1997) Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50059035 (3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...) Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 2 from pig coronary artery				J Med Chem 29: 972-8 (1986) BindingDB Entry DOI: 10.7270/Q26W9C9F
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM50059035 (3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...) Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method				Bioorg Med Chem Lett 19: 2129-32 (2009) Article DOI: 10.1016/j.bmcl.2009.03.007 BindingDB Entry DOI: 10.7270/Q2D79B9B
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50059035 (3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...) Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung				J Med Chem 40: 2196-210 (1997) Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ
					More data for this Ligand-Target Pair