BDBM50140599 2-benzyl-5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4,5,8-tetrahydrocyclopenta[4,5]imidazo[2,1-b]purin-4-one::CHEMBL277692

SMILES: CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O

InChI Key: InChIKey=XOUWEHLEXOAAMA-YADHBBJMSA-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 = 50140599   

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))	BDBM50140599 (2-benzyl-5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H29N5O2/c1-3-30-26(33)24-25(32-22-11-7-10-21(22)28-27(30)32)29-23(16-18-8-5-4-6-9-18)31(24)17-19-12-14-20(34-2)15-13-19/h4-6,8-9,12-15,21-22H,3,7,10-11,16-17H2,1-2H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras-UFLA Curated by ChEMBL					Assay Description Inhibition of PDE5				Eur J Med Chem 43: 1632-8 (2008) Article DOI: 10.1016/j.ejmech.2007.10.019 BindingDB Entry DOI: 10.7270/Q2Q81F9P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140599 (2-benzyl-5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H29N5O2/c1-3-30-26(33)24-25(32-22-11-7-10-21(22)28-27(30)32)29-23(16-18-8-5-4-6-9-18)31(24)17-19-12-14-20(34-2)15-13-19/h4-6,8-9,12-15,21-22H,3,7,10-11,16-17H2,1-2H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair