BDBM50059040 (6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::CHEMBL306426

SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=VVHWWBPMHPKVKI-MSOLQXFVSA-N

Data: 3 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 3 hits for monomerid = 50059040   

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)	BDBM50059040 ((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C23H28N6O/c1-26-22(30)20-21(29-18-11-7-10-17(18)24-23(26)29)25-19(15-27-12-5-6-13-27)28(20)14-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3/t17-,18+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50059040 ((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C23H28N6O/c1-26-22(30)20-21(29-18-11-7-10-17(18)24-23(26)29)25-19(15-27-12-5-6-13-27)28(20)14-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3/t17-,18+/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banasthali University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin)				Bioorg Med Chem Lett 24: 3137-41 (2014) Article DOI: 10.1016/j.bmcl.2014.05.004 BindingDB Entry DOI: 10.7270/Q2JH3NRM
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50059040 ((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C23H28N6O/c1-26-22(30)20-21(29-18-11-7-10-17(18)24-23(26)29)25-19(15-27-12-5-6-13-27)28(20)14-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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