BDBM50140580 3-(3-bromo-4-methoxybenzyl)-5-ethyl-4-oxo-(6aR,9aS)-3,4,5,8-tetrahydrocyclopenta[4,5]imidazo[2,1-b]purine-2-carboxamide::CHEMBL432657

SMILES: CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)c(Br)c3)c2C1=O

InChI Key: InChIKey=UTKMVWNKCOLLNQ-KGLIPLIRSA-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 = 50140580   

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))	BDBM50140580 (3-(3-bromo-4-methoxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23BrN6O3/c1-3-26-20(30)16-18(28-14-6-4-5-13(14)24-21(26)28)25-19(17(23)29)27(16)10-11-7-8-15(31-2)12(22)9-11/h7-9,13-14H,3-6,10H2,1-2H3,(H2,23,29)/t13-,14+/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	1.5	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))	BDBM50140580 (3-(3-bromo-4-methoxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23BrN6O3/c1-3-26-20(30)16-18(28-14-6-4-5-13(14)24-21(26)28)25-19(17(23)29)27(16)10-11-7-8-15(31-2)12(22)9-11/h7-9,13-14H,3-6,10H2,1-2H3,(H2,23,29)/t13-,14+/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	1.5	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