BDBM50059030 (6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::CHEMBL303917

SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=PVDZNAVTENBGLF-UXHICEINSA-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 = 50059030   

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)	BDBM50059030 ((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C25H31N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+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))	BDBM50059030 ((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C25H31N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/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	590	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)	BDBM50059030 ((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C25H31N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/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	590	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