BDBM50059041 (6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::CHEMBL303385

SMILES: CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1

InChI Key: InChIKey=FXLGLJSHRHJAED-MOPGFXCFSA-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 = 50059041   

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)	BDBM50059041 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1 |c:16| Show InChI InChI=1S/C24H31N5O/c1-3-4-5-9-15-20-26-22-21(28(20)16-17-11-7-6-8-12-17)23(30)27(2)24-25-18-13-10-14-19(18)29(22)24/h6-8,11-12,18-19H,3-5,9-10,13-16H2,1-2H3/t18-,19+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	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))	BDBM50059041 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1 |c:16| Show InChI InChI=1S/C24H31N5O/c1-3-4-5-9-15-20-26-22-21(28(20)16-17-11-7-6-8-12-17)23(30)27(2)24-25-18-13-10-14-19(18)29(22)24/h6-8,11-12,18-19H,3-5,9-10,13-16H2,1-2H3/t18-,19+/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	800	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)	BDBM50059041 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1 |c:16| Show InChI InChI=1S/C24H31N5O/c1-3-4-5-9-15-20-26-22-21(28(20)16-17-11-7-6-8-12-17)23(30)27(2)24-25-18-13-10-14-19(18)29(22)24/h6-8,11-12,18-19H,3-5,9-10,13-16H2,1-2H3/t18-,19+/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	800	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